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emical database
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Chemical Name
Cas Number
EINECS Number
MDL Number
Molecular Formula
InChIKey
Smiles
Journal Title
GO
Chemical and Pharmaceutical Bulletin
3-phenyl-1-propanol
Molecular Formula:
C
9
H
12
O
Molecular Weight:
136.194 g/mol
Cas Number:
122-97-4
EINECS Number:
204-587-6
1-phenylethanone
Molecular Formula:
C
8
H
8
O
Molecular Weight:
120.151 g/mol
Cas Number:
98-86-2
EINECS Number:
202-708-7
(E)-1,2-diphenyldiazene
Molecular Formula:
C
12
H
10
N
2
Molecular Weight:
182.225 g/mol
Cas Number:
103-33-3
EINECS Number:
203-102-5
4-chloro-8-methoxy-11H-indolo[3,2-c]quinoline
Molecular Formula:
C
16
H
11
ClN
2
O
Molecular Weight:
282.729 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-N-phenyl-1,3-benzoxazol-2-amine
Molecular Formula:
C
14
H
12
N
2
O
Molecular Weight:
224.262 g/mol
Cas Number:
-
EINECS Number:
-
N,N'-diphenylurea
Molecular Formula:
C
13
H
12
N
2
O
Molecular Weight:
212.251 g/mol
Cas Number:
102-07-8
EINECS Number:
203-003-7
(2E)-2-hexenyl 4-methylbenzenesulfinate
Molecular Formula:
C
13
H
18
O
2
S
Molecular Weight:
238.351 g/mol
Cas Number:
-
EINECS Number:
-
6,7-dimethoxy-4,4-dimethyl-2,3-dihydro-naphthalen-1-one
Molecular Formula:
C
14
H
18
O
3
Molecular Weight:
234.295 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-methylphenyl)-2-oxo-1-(4-toluidinocarbonyl)hydrazine
Molecular Formula:
C
15
H
15
N
3
O
2
Molecular Weight:
269.303 g/mol
Cas Number:
-
EINECS Number:
-
(2-chloro-6-methylene-1-cyclohexen-1-yl)(phenyl)methanone
Molecular Formula:
C
14
H
13
ClO
Molecular Weight:
232.709 g/mol
Cas Number:
-
EINECS Number:
-
1-benzyl-3,5,5-trimethyl-2-sulfanylidene-1,3-diazinan-4-one
Molecular Formula:
C
14
H
18
N
2
OS
Molecular Weight:
262.376 g/mol
Cas Number:
-
EINECS Number:
-
p-Cresol
Molecular Formula:
C
7
H
8
O
Molecular Weight:
108.14 g/mol
Cas Number:
106-44-5
EINECS Number:
203-398-6
methyl 5-chloro-3-formyl-2-hydroxybenzoate
Molecular Formula:
C
9
H
7
ClO
4
Molecular Weight:
214.605 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-1-phenyl-5,6,7,8-tetrahydro-1H-quinolin-4-one
Molecular Formula:
C
16
H
17
NO
Molecular Weight:
239.317 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-2,3-diphenyl-2,3-dihydro-4H-1,3-oxazin-4-one
Molecular Formula:
C
17
H
15
NO
2
Molecular Weight:
265.312 g/mol
Cas Number:
-
EINECS Number:
-
3-benzyl-6-methyl-2-phenyl-2,3-dihydro-4H-1,3-oxazin-4-one
Molecular Formula:
C
18
H
17
NO
2
Molecular Weight:
279.339 g/mol
Cas Number:
-
EINECS Number:
-
5-acetyl-3-isopropyl-2-phenyl-1,3-oxazinane-4,6-dione
Molecular Formula:
C
15
H
17
NO
4
Molecular Weight:
275.304 g/mol
Cas Number:
-
EINECS Number:
-
6-methyl-2-phenyl-4H-1,3-thiazin-4-one
Molecular Formula:
C
11
H
9
NOS
Molecular Weight:
203.265 g/mol
Cas Number:
-
EINECS Number:
-
6-ethyl-2-phenyl-3H-pyrimidin-4-one
Molecular Formula:
C
12
H
12
N
2
O
Molecular Weight:
200.24 g/mol
Cas Number:
-
EINECS Number:
-
2-benzoyl-2-azabicyclo[3.3.1]nonan-8-one
Molecular Formula:
C
15
H
17
NO
2
Molecular Weight:
243.306 g/mol
Cas Number:
-
EINECS Number:
-
5,6-dimethyl-2,7-dihydro-2-pyrindin-1-one
Molecular Formula:
C
10
H
11
NO
Molecular Weight:
161.203 g/mol
Cas Number:
-
EINECS Number:
-
5-methyl-3,5-dihydro-1H-cyclopenta[c]quinoline-1,4(2H)-dione
Molecular Formula:
C
13
H
11
NO
2
Molecular Weight:
213.236 g/mol
Cas Number:
-
EINECS Number:
-
1-[(1E)-1-phenyl-1-butenyl]pyrrolidine
Molecular Formula:
C
14
H
19
N
Molecular Weight:
201.312 g/mol
Cas Number:
-
EINECS Number:
-
2-phenylbutanoic acid
Molecular Formula:
C
10
H
12
O
2
Molecular Weight:
164.204 g/mol
Cas Number:
90-27-7
EINECS Number:
201-982-5
7-methoxy-1-methyl-3,4-dihydro-6-isoquinolinol
Molecular Formula:
C
11
H
13
NO
2
Molecular Weight:
191.23 g/mol
Cas Number:
-
EINECS Number:
-
4-phenyl-1-butanol
Molecular Formula:
C
10
H
14
O
Molecular Weight:
150.221 g/mol
Cas Number:
3360-41-6
EINECS Number:
222-128-8
2,3-dimethyl-1H-indole-1-carbaldehyde
Molecular Formula:
C
11
H
11
NO
Molecular Weight:
173.214 g/mol
Cas Number:
-
EINECS Number:
-
2-Methyl-1H-indole-3-carbaldehyde
Molecular Formula:
C
10
H
9
NO
Molecular Weight:
159.188 g/mol
Cas Number:
5416-80-8
EINECS Number:
226-512-6
ethyl 2-ethoxyimidazo[1,2-a]pyridine-3-carboxylate
Molecular Formula:
C
12
H
14
N
2
O
3
Molecular Weight:
234.255 g/mol
Cas Number:
-
EINECS Number:
-
1-ethyl 3-methyl malonate
Molecular Formula:
C
6
H
10
O
4
Molecular Weight:
146.143 g/mol
Cas Number:
6186-89-6
EINECS Number:
-
Ibuprofen
Molecular Formula:
C
13
H
18
O
2
Molecular Weight:
206.285 g/mol
Cas Number:
15687-27-1
EINECS Number:
239-784-6
1-(phenylsulfonyl)-5-hexen-2-one
Molecular Formula:
C
12
H
14
O
3
S
Molecular Weight:
238.307 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-5-(benzenesulfonylmethylidene)-2,2-dimethyloxolane
Molecular Formula:
C
13
H
16
O
3
S
Molecular Weight:
252.334 g/mol
Cas Number:
-
EINECS Number:
-
1-(2-methylcyclopropyl)-4-penten-1-one
Molecular Formula:
C
9
H
14
O
Molecular Weight:
138.21 g/mol
Cas Number:
-
EINECS Number:
-
1,3-benzoxazol-2-yl 1-phenylethyl ether
Molecular Formula:
C
15
H
13
NO
2
Molecular Weight:
239.274 g/mol
Cas Number:
-
EINECS Number:
-
1,4-diphenyl-1H-pyrazolo[3,4-d]pyrimidine
Molecular Formula:
C
17
H
12
N
4
Molecular Weight:
272.309 g/mol
Cas Number:
-
EINECS Number:
-
6,8-dimethylpyrimido[4,5-d][1,2,3]triazine-5,7(6H,8H)-dione
Molecular Formula:
C
7
H
7
N
5
O
2
Molecular Weight:
193.165 g/mol
Cas Number:
-
EINECS Number:
-
(7-bromo-6-methoxy-2-naphthyl)methanol
Molecular Formula:
C
12
H
11
BrO
2
Molecular Weight:
267.122 g/mol
Cas Number:
-
EINECS Number:
-
3-bromo-propyl-benzene
Molecular Formula:
C
9
H
11
Br
Molecular Weight:
199.09 g/mol
Cas Number:
637-59-2
EINECS Number:
211-294-7
1-methyl-2,5-pyrrolidinedione
Molecular Formula:
C
5
H
7
NO
2
Molecular Weight:
113.116 g/mol
Cas Number:
1121-07-9
EINECS Number:
-
(3E)-4-(dimethylamino)-3-penten-2-one
Molecular Formula:
C
7
H
13
NO
Molecular Weight:
127.186 g/mol
Cas Number:
3433-62-3
EINECS Number:
-
dimethyl 2-hydroxy-4,6-dimethylisophthalate
Molecular Formula:
C
12
H
14
O
5
Molecular Weight:
238.24 g/mol
Cas Number:
-
EINECS Number:
-
(1E,4E)-1-(dimethylamino)-5-phenyl-1,4-pentadien-3-one
Molecular Formula:
C
13
H
15
NO
Molecular Weight:
201.268 g/mol
Cas Number:
-
EINECS Number:
-
dimethyl 2-hydroxyisophthalate
Molecular Formula:
C
10
H
10
O
5
Molecular Weight:
210.186 g/mol
Cas Number:
-
EINECS Number:
-
5,5-dimethyl-2-nitro-1,3-cyclohexadien-1-ol
Molecular Formula:
C
8
H
11
NO
3
Molecular Weight:
169.18 g/mol
Cas Number:
-
EINECS Number:
-
3,5,5-trimethyl-2-nitro-2-cyclohexen-1-one
Molecular Formula:
C
9
H
13
NO
3
Molecular Weight:
183.207 g/mol
Cas Number:
-
EINECS Number:
-
6,7-dihydro-5H-quinazolin-8-one oxime
Molecular Formula:
C
8
H
9
N
3
O
Molecular Weight:
163.179 g/mol
Cas Number:
-
EINECS Number:
-
6,7-dihydro-5H-quinazolin-8-one
Molecular Formula:
C
8
H
8
N
2
O
Molecular Weight:
148.164 g/mol
Cas Number:
-
EINECS Number:
-
2-butylpyrazolo[1,5-a]pyridine
Molecular Formula:
C
11
H
14
N
2
Molecular Weight:
174.246 g/mol
Cas Number:
-
EINECS Number:
-
1,3-diphenyl-1-propanone
Molecular Formula:
C
15
H
14
O
Molecular Weight:
210.276 g/mol
Cas Number:
1083-30-3
EINECS Number:
-
2-methylcycloheptanone
Molecular Formula:
C
8
H
14
O
Molecular Weight:
126.199 g/mol
Cas Number:
-
EINECS Number:
-
3-phenyl-4H-1,2,4-oxadiazol-5-one
Molecular Formula:
C
8
H
6
N
2
O
2
Molecular Weight:
162.148 g/mol
Cas Number:
1456-22-0
EINECS Number:
-
p-Terphenyl
Molecular Formula:
C
18
H
14
Molecular Weight:
230.309 g/mol
Cas Number:
92-94-4
EINECS Number:
202-205-2
N-(2-formyl-3-methoxyphenyl)-2,2-dimethylpropanamide
Molecular Formula:
C
13
H
17
NO
3
Molecular Weight:
235.283 g/mol
Cas Number:
82673-65-2
EINECS Number:
-
7-methyl-3-phenyl-4H-pyridazino[6,1-c][1,2,4]triazine
Molecular Formula:
C
13
H
12
N
4
Molecular Weight:
224.265 g/mol
Cas Number:
-
EINECS Number:
-
2,2-dimethyl-5-(2-quinolinyl)-1,3-dioxane-4,6-dione
Molecular Formula:
C
15
H
13
NO
4
Molecular Weight:
271.273 g/mol
Cas Number:
-
EINECS Number:
-
quinoline 1-oxide
Molecular Formula:
C
9
H
7
NO
Molecular Weight:
145.161 g/mol
Cas Number:
1613-37-2
EINECS Number:
216-560-6
2-quinolinecarboxylic acid 1-oxide
Molecular Formula:
C
10
H
7
NO
3
Molecular Weight:
189.171 g/mol
Cas Number:
-
EINECS Number:
-
methyl 2-quinolinylacetate
Molecular Formula:
C
12
H
11
NO
2
Molecular Weight:
201.225 g/mol
Cas Number:
-
EINECS Number:
-
2-iodoquinoline
Molecular Formula:
C
9
H
6
IN
Molecular Weight:
255.058 g/mol
Cas Number:
6560-83-4
EINECS Number:
-
3-methyl-3H-imidazo[4,5-f]quinolin-2-amine
Molecular Formula:
C
11
H
10
N
4
Molecular Weight:
198.227 g/mol
Cas Number:
76180-96-6
EINECS Number:
-
benzyl 1-methyl-2-oxoethylcarbamate
Molecular Formula:
C
11
H
13
NO
3
Molecular Weight:
207.229 g/mol
Cas Number:
-
EINECS Number:
-
Pyrimethanil
Molecular Formula:
C
12
H
13
N
3
Molecular Weight:
199.255 g/mol
Cas Number:
53112-28-0
EINECS Number:
414-220-3
2-methyl-1-quinolin-3-ylpropan-1-one
Molecular Formula:
C
13
H
13
NO
Molecular Weight:
199.252 g/mol
Cas Number:
-
EINECS Number:
-
cyclohexyl-isoquinolin-3-ylmethanone
Molecular Formula:
C
16
H
17
NO
Molecular Weight:
239.317 g/mol
Cas Number:
-
EINECS Number:
-
cyclohexyl-pyridin-4-ylmethanone
Molecular Formula:
C
12
H
15
NO
Molecular Weight:
189.257 g/mol
Cas Number:
32921-23-6
EINECS Number:
-
cyclohexyl-pyridin-3-ylmethanone
Molecular Formula:
C
12
H
15
NO
Molecular Weight:
189.257 g/mol
Cas Number:
-
EINECS Number:
-
2-allyloxy-cyclohex-2-en-1-one
Molecular Formula:
C
9
H
12
O
2
Molecular Weight:
152.193 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 5-amino-4-cyano-2-methyl-2,3-dihydro-1H-pyrrole-1-carboxylate
Molecular Formula:
C
9
H
13
N
3
O
2
Molecular Weight:
195.221 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-amino-3-cyano-5-methyl-1H-pyrrole-1-carboxylate
Molecular Formula:
C
9
H
11
N
3
O
2
Molecular Weight:
193.205 g/mol
Cas Number:
-
EINECS Number:
-
1,3,7-trimethoxyanthra-9,10-quinone
Molecular Formula:
C
17
H
14
O
5
Molecular Weight:
298.295 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-benzyl-4,6-dihydroxybenzoate
Molecular Formula:
C
16
H
16
O
4
Molecular Weight:
272.301 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 3-oxo-4-phenylbutanoate
Molecular Formula:
C
12
H
14
O
3
Molecular Weight:
206.241 g/mol
Cas Number:
718-08-1
EINECS Number:
-
8,10-dimethoxy-11H-benzo[a]fluoren-11-one
Molecular Formula:
C
19
H
14
O
3
Molecular Weight:
290.318 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2,4-dihydroxy-6-phenylbenzoate
Molecular Formula:
C
15
H
14
O
4
Molecular Weight:
258.274 g/mol
Cas Number:
-
EINECS Number:
-
benzyl-methyl-styryl-amine
Molecular Formula:
C
16
H
17
N
Molecular Weight:
223.318 g/mol
Cas Number:
-
EINECS Number:
-
3-methylbutanoic acid
Molecular Formula:
C
5
H
10
O
2
Molecular Weight:
102.133 g/mol
Cas Number:
503-74-2
EINECS Number:
207-975-3
2-benzylsulfonyl-cycloheptan-1-one
Molecular Formula:
C
14
H
18
O
3
S
Molecular Weight:
266.361 g/mol
Cas Number:
-
EINECS Number:
-
1-cyclohexenylsulfonyl-methyl-benzene
Molecular Formula:
C
13
H
16
O
2
S
Molecular Weight:
236.335 g/mol
Cas Number:
-
EINECS Number:
-
S-ethyl thioformate
Molecular Formula:
C
3
H
6
OS
Molecular Weight:
90.146 g/mol
Cas Number:
21071-39-6
EINECS Number:
-
N-methyl-N-phenylacetamide
Molecular Formula:
C
9
H
11
NO
Molecular Weight:
149.192 g/mol
Cas Number:
579-10-2
EINECS Number:
-
N-methyl-N-phenyl-3-butenamide
Molecular Formula:
C
11
H
13
NO
Molecular Weight:
175.23 g/mol
Cas Number:
-
EINECS Number:
-
3-hydroxy-N-methyl-N,3-diphenylpropanamide
Molecular Formula:
C
16
H
17
NO
2
Molecular Weight:
255.317 g/mol
Cas Number:
-
EINECS Number:
-
4-(diazomethyl)-7-methoxy-2H-chromen-2-one
Molecular Formula:
C
11
H
8
N
2
O
3
Molecular Weight:
216.196 g/mol
Cas Number:
-
EINECS Number:
-
4-(isopropoxymethyl)-7-methoxy-2H-chromen-2-one
Molecular Formula:
C
14
H
16
O
4
Molecular Weight:
248.279 g/mol
Cas Number:
-
EINECS Number:
-
(7-methoxy-2-oxo-2H-chromen-4-yl)methyl chloroacetate
Molecular Formula:
C
13
H
11
ClO
5
Molecular Weight:
282.68 g/mol
Cas Number:
-
EINECS Number:
-
N-(2,6-dimethylphenyl)acetamide
Molecular Formula:
C
10
H
13
NO
Molecular Weight:
163.219 g/mol
Cas Number:
2198-53-0
EINECS Number:
218-596-8
S-phenyl ethanethioate
Molecular Formula:
C
8
H
8
OS
Molecular Weight:
152.217 g/mol
Cas Number:
934-87-2
EINECS Number:
213-294-2
phenyl acetate
Molecular Formula:
C
8
H
8
O
2
Molecular Weight:
136.15 g/mol
Cas Number:
122-79-2
EINECS Number:
204-575-0
6-methoxy-1-methyl-1,3-dihydro-2H-indol-2-one
Molecular Formula:
C
10
H
11
NO
2
Molecular Weight:
177.203 g/mol
Cas Number:
-
EINECS Number:
-
5,7-dimethoxy-2-methyl-2,4-dihydro-1H-isoquinolin-3-one
Molecular Formula:
C
12
H
15
NO
3
Molecular Weight:
221.256 g/mol
Cas Number:
-
EINECS Number:
-
5-nitro-1H-isochromen-1-one
Molecular Formula:
C
9
H
5
NO
4
Molecular Weight:
191.143 g/mol
Cas Number:
-
EINECS Number:
-
2-methyl-5-nitroisoquinolin-1-one
Molecular Formula:
C
10
H
8
N
2
O
3
Molecular Weight:
204.185 g/mol
Cas Number:
42792-96-1
EINECS Number:
-
methyl 1H-indole-4-carboxylate
Molecular Formula:
C
10
H
9
NO
2
Molecular Weight:
175.187 g/mol
Cas Number:
39830-66-5
EINECS Number:
-
5-amino-1H-isochromen-1-one
Molecular Formula:
C
9
H
7
NO
2
Molecular Weight:
161.16 g/mol
Cas Number:
-
EINECS Number:
-
1-(4-methylphenyl)-2-nitroethanone
Molecular Formula:
C
9
H
9
NO
3
Molecular Weight:
179.175 g/mol
Cas Number:
62968-73-4
EINECS Number:
-
methyl 4-methylbenzenesulfonate
Molecular Formula:
C
8
H
10
O
3
S
Molecular Weight:
186.232 g/mol
Cas Number:
80-48-8
EINECS Number:
201-283-5
N-benzyl-3,4-dihydro-1H-isochromen-1-amine
Molecular Formula:
C
16
H
17
NO
Molecular Weight:
239.317 g/mol
Cas Number:
-
EINECS Number:
-
4-benzylisoquinoline
Molecular Formula:
C
16
H
13
N
Molecular Weight:
219.286 g/mol
Cas Number:
-
EINECS Number:
-
2-(benzylamino)-6-methyl-4H-1,3-oxazin-4-one
Molecular Formula:
C
12
H
12
N
2
O
2
Molecular Weight:
216.24 g/mol
Cas Number:
-
EINECS Number:
-
1
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4
5
6
7
8
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