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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
Chemistry Letters
1-ethylsulfonyl-ethane
Molecular Formula:
C
4
H
10
O
2
S
Molecular Weight:
122.188 g/mol
Cas Number:
597-35-3
EINECS Number:
209-898-0
Stilbene
Molecular Formula:
C
14
H
12
Molecular Weight:
180.249 g/mol
Cas Number:
103-30-0
EINECS Number:
211-445-7
3-methyl-2-pentyl-2-cyclopenten-1-one
Molecular Formula:
C
11
H
18
O
Molecular Weight:
166.263 g/mol
Cas Number:
1128-08-1
EINECS Number:
214-434-5
methylbenzene
Molecular Formula:
C
7
H
8
Molecular Weight:
92.141 g/mol
Cas Number:
108-88-3
EINECS Number:
203-625-9
methoxymethyl-benzene
Molecular Formula:
C
8
H
10
O
Molecular Weight:
122.167 g/mol
Cas Number:
538-86-3
EINECS Number:
208-705-7
benzylsulfanyl-methyl-benzene
Molecular Formula:
C
14
H
14
S
Molecular Weight:
214.331 g/mol
Cas Number:
538-74-9
EINECS Number:
208-703-6
Benzoic Acid
Molecular Formula:
C
7
H
6
O
2
Molecular Weight:
122.123 g/mol
Cas Number:
65-85-0
EINECS Number:
200-618-2
1,4-Epoxy-1,4-dihydronaphthalene
Molecular Formula:
C
10
H
8
O
Molecular Weight:
144.173 g/mol
Cas Number:
573-57-9
EINECS Number:
-
2-fluorohexanoic acid
Molecular Formula:
C
6
H
11
FO
2
Molecular Weight:
134.151 g/mol
Cas Number:
1578-57-0
EINECS Number:
-
phenylacetonitrile
Molecular Formula:
C
8
H
7
N
Molecular Weight:
117.15 g/mol
Cas Number:
140-29-4
EINECS Number:
205-410-5
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
ethyl phenylacetate
Molecular Formula:
C
10
H
12
O
2
Molecular Weight:
164.204 g/mol
Cas Number:
101-97-3
EINECS Number:
202-993-8
Cyclohexanone
Molecular Formula:
C
6
H
10
O
Molecular Weight:
98.145 g/mol
Cas Number:
108-94-1
EINECS Number:
203-631-1
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
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:
-
1,3-diphenyl-1,3-propanedione
Molecular Formula:
C
15
H
12
O
2
Molecular Weight:
224.259 g/mol
Cas Number:
120-46-7
EINECS Number:
204-398-9
methyl benzoate
Molecular Formula:
C
8
H
8
O
2
Molecular Weight:
136.15 g/mol
Cas Number:
93-58-3
EINECS Number:
202-259-7
3,5-diphenyl-1,2,4-oxadiazole
Molecular Formula:
C
14
H
10
N
2
O
Molecular Weight:
222.246 g/mol
Cas Number:
888-71-1
EINECS Number:
-
1-benzylpiperidine
Molecular Formula:
C
12
H
17
N
Molecular Weight:
175.274 g/mol
Cas Number:
2905-56-8
EINECS Number:
220-809-4
2-methyl-1H-benzimidazole
Molecular Formula:
C
8
H
8
N
2
Molecular Weight:
132.165 g/mol
Cas Number:
615-15-6
EINECS Number:
210-411-9
1,2,3,9-tetrahydro-4H-carbazol-4-one
Molecular Formula:
C
12
H
11
NO
Molecular Weight:
185.225 g/mol
Cas Number:
15128-52-6
EINECS Number:
-
1-fluorooctane
Molecular Formula:
C
8
H
17
F
Molecular Weight:
132.221 g/mol
Cas Number:
463-11-6
EINECS Number:
207-333-2
2-cyclohexen-1-one
Molecular Formula:
C
6
H
8
O
Molecular Weight:
96.129 g/mol
Cas Number:
930-68-7
EINECS Number:
213-223-5
2-phenyl-1,3-benzoxazole
Molecular Formula:
C
13
H
9
NO
Molecular Weight:
195.221 g/mol
Cas Number:
833-50-1
EINECS Number:
-
3-phenylpropanenitrile
Molecular Formula:
C
9
H
9
N
Molecular Weight:
131.177 g/mol
Cas Number:
645-59-0
EINECS Number:
211-447-8
4-methoxybenzaldehyde
Molecular Formula:
C
8
H
8
O
2
Molecular Weight:
136.15 g/mol
Cas Number:
123-11-5
EINECS Number:
204-602-6
diphenylacetaldehyde
Molecular Formula:
C
14
H
12
O
Molecular Weight:
196.249 g/mol
Cas Number:
947-91-1
EINECS Number:
213-433-7
Cyclohexanecarbaldehyde
Molecular Formula:
C
7
H
12
O
Molecular Weight:
112.172 g/mol
Cas Number:
2043-61-0
EINECS Number:
218-057-7
3-Phenylpropanal
Molecular Formula:
C
9
H
10
O
Molecular Weight:
134.178 g/mol
Cas Number:
104-53-0
EINECS Number:
203-211-8
4-Oxo-4-phenylbutanenitrile
Molecular Formula:
C
10
H
9
NO
Molecular Weight:
159.188 g/mol
Cas Number:
5343-98-6
EINECS Number:
-
phenethyl-benzene
Molecular Formula:
C
14
H
14
Molecular Weight:
182.265 g/mol
Cas Number:
103-29-7
EINECS Number:
203-096-4
2-ethyl-3a,4,5,6,7,7a-hexahydro-1H-inden-1-one
Molecular Formula:
C
11
H
16
O
Molecular Weight:
164.247 g/mol
Cas Number:
-
EINECS Number:
-
ethylsulfanyl-methyl-benzene
Molecular Formula:
C
9
H
12
S
Molecular Weight:
152.26 g/mol
Cas Number:
6263-62-3
EINECS Number:
-
phenyl anhydride
Molecular Formula:
C
14
H
10
O
3
Molecular Weight:
226.232 g/mol
Cas Number:
93-97-0
EINECS Number:
202-291-1
Benzophenone
Molecular Formula:
C
13
H
10
O
Molecular Weight:
182.222 g/mol
Cas Number:
119-61-9
EINECS Number:
204-337-6
2-acetylphenylformamide
Molecular Formula:
C
9
H
9
NO
2
Molecular Weight:
163.176 g/mol
Cas Number:
5257-06-7
EINECS Number:
-
4-phenyl-2-butanone
Molecular Formula:
C
10
H
12
O
Molecular Weight:
148.205 g/mol
Cas Number:
2550-26-7
EINECS Number:
219-847-4
1-octanol
Molecular Formula:
C
8
H
18
O
Molecular Weight:
130.23 g/mol
Cas Number:
111-87-5
EINECS Number:
203-917-6
Dibenzyl sulfoxide
Molecular Formula:
C
14
H
14
OS
Molecular Weight:
230.331 g/mol
Cas Number:
621-08-9
EINECS Number:
210-668-7
phenylsulfanyl-benzene
Molecular Formula:
C
12
H
10
S
Molecular Weight:
186.277 g/mol
Cas Number:
139-66-2
EINECS Number:
205-371-4
Indole
Molecular Formula:
C
8
H
7
N
Molecular Weight:
117.15 g/mol
Cas Number:
120-72-9
EINECS Number:
204-420-7
S-ethyl benzenecarbothioate
Molecular Formula:
C
9
H
10
OS
Molecular Weight:
166.244 g/mol
Cas Number:
1484-17-9
EINECS Number:
-
phenyldisulfanyl-benzene
Molecular Formula:
C
12
H
10
S
2
Molecular Weight:
218.343 g/mol
Cas Number:
882-33-7
EINECS Number:
212-926-4
1-(4-aminophenyl)ethanone
Molecular Formula:
C
8
H
9
NO
Molecular Weight:
135.166 g/mol
Cas Number:
99-92-3
EINECS Number:
202-801-2
1-methoxy-1,3-dihydro-2H-indol-2-one
Molecular Formula:
C
9
H
9
NO
2
Molecular Weight:
163.176 g/mol
Cas Number:
-
EINECS Number:
-
2-ethoxy-2-phenylacetonitrile
Molecular Formula:
C
10
H
11
NO
Molecular Weight:
161.203 g/mol
Cas Number:
-
EINECS Number:
-
5H-dibenzo[a,d]cyclohepten-5-one
Molecular Formula:
C
15
H
10
O
Molecular Weight:
206.244 g/mol
Cas Number:
2222-33-5
EINECS Number:
218-737-3
3-phenyl-2-propyn-1-ol
Molecular Formula:
C
9
H
8
O
Molecular Weight:
132.162 g/mol
Cas Number:
1504-58-1
EINECS Number:
-
(6Z)-6-dodecene
Molecular Formula:
C
12
H
24
Molecular Weight:
168.323 g/mol
Cas Number:
29493-00-3
EINECS Number:
-
(3E)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one
Molecular Formula:
C
6
H
7
F
3
O
2
Molecular Weight:
168.116 g/mol
Cas Number:
252955-06-9
EINECS Number:
475-900-3
3,3-dichloro-5-octyloxolan-2-one
Molecular Formula:
C
12
H
20
Cl
2
O
2
Molecular Weight:
267.195 g/mol
Cas Number:
67107-93-1
EINECS Number:
-
4-methylbenzaldehyde
Molecular Formula:
C
8
H
8
O
Molecular Weight:
120.151 g/mol
Cas Number:
104-87-0
EINECS Number:
203-246-9
2,5-dimethyl-2,4-hexadiene
Molecular Formula:
C
8
H
14
Molecular Weight:
110.199 g/mol
Cas Number:
764-13-6
EINECS Number:
212-115-5
dimethyl 1H-1,2-benzodiazepine-3,4-dicarboxylate
Molecular Formula:
C
13
H
12
N
2
O
4
Molecular Weight:
260.249 g/mol
Cas Number:
-
EINECS Number:
-
3-methylene-3a,4,5,6,7,7a-hexahydro-benzofuran-2-one
Molecular Formula:
C
9
H
12
O
2
Molecular Weight:
152.193 g/mol
Cas Number:
3727-53-5
EINECS Number:
-
9,10-dihydroanthracene
Molecular Formula:
C
14
H
12
Molecular Weight:
180.249 g/mol
Cas Number:
613-31-0
EINECS Number:
210-336-1
N-benzoylcysteine
Molecular Formula:
C
10
H
11
NO
3
S
Molecular Weight:
225.268 g/mol
Cas Number:
-
EINECS Number:
-
3-hydroxy-3,5,5-trimethylcyclohexanone
Molecular Formula:
C
9
H
16
O
2
Molecular Weight:
156.225 g/mol
Cas Number:
-
EINECS Number:
-
2-allyl-1-phenyl-4-penten-1-one
Molecular Formula:
C
14
H
16
O
Molecular Weight:
200.28 g/mol
Cas Number:
-
EINECS Number:
-
(5E)-5,10-undecadien-2-one
Molecular Formula:
C
11
H
18
O
Molecular Weight:
166.263 g/mol
Cas Number:
-
EINECS Number:
-
(2Z)-3-cyclohexyl-2-methyl-2-propenenitrile
Molecular Formula:
C
10
H
15
N
Molecular Weight:
149.236 g/mol
Cas Number:
-
EINECS Number:
-
4-methyl-2-thiophenecarboxylic acid
Molecular Formula:
C
6
H
6
O
2
S
Molecular Weight:
142.178 g/mol
Cas Number:
14282-78-1
EINECS Number:
-
1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylic acid
Molecular Formula:
C
7
H
8
N
2
O
4
Molecular Weight:
184.152 g/mol
Cas Number:
-
EINECS Number:
-
2-thiophenecarboxylic acid
Molecular Formula:
C
5
H
4
O
2
S
Molecular Weight:
128.152 g/mol
Cas Number:
527-72-0
EINECS Number:
208-423-4
N-(1,1,1,3,3,3-hexafluoropropan-2-yl)benzene-1,2-diamine
Molecular Formula:
C
9
H
8
F
6
N
2
Molecular Weight:
258.166 g/mol
Cas Number:
-
EINECS Number:
-
2-fluoro-3-(trifluoromethyl)-1,4-dihydroquinoxaline
Molecular Formula:
C
9
H
6
F
4
N
2
Molecular Weight:
218.154 g/mol
Cas Number:
-
EINECS Number:
-
1,3-benzodioxol-5-ylacetonitrile
Molecular Formula:
C
9
H
7
NO
2
Molecular Weight:
161.16 g/mol
Cas Number:
4439-02-5
EINECS Number:
224-655-9
(4-methylphenyl)acetonitrile
Molecular Formula:
C
9
H
9
N
Molecular Weight:
131.177 g/mol
Cas Number:
2947-61-7
EINECS Number:
220-963-2
(5Z)-2,5-dimethyl-5-hepten-3-one
Molecular Formula:
C
9
H
16
O
Molecular Weight:
140.225 g/mol
Cas Number:
-
EINECS Number:
-
2-ethyl-1,3,5-trimethylbenzene
Molecular Formula:
C
11
H
16
Molecular Weight:
148.248 g/mol
Cas Number:
-
EINECS Number:
-
1-methyl-3-phenylsulfanylbenzene
Molecular Formula:
C
13
H
12
S
Molecular Weight:
200.304 g/mol
Cas Number:
13865-48-0
EINECS Number:
-
S-benzyl 4-methylbenzenesulfonothioate
Molecular Formula:
C
14
H
14
O
2
S
2
Molecular Weight:
278.396 g/mol
Cas Number:
16601-02-8
EINECS Number:
-
3-butyl-2-phenyl-2-heptenal
Molecular Formula:
C
17
H
24
O
Molecular Weight:
244.377 g/mol
Cas Number:
-
EINECS Number:
-
4-butyl-3-phenyl-3-octen-2-one
Molecular Formula:
C
18
H
26
O
Molecular Weight:
258.404 g/mol
Cas Number:
-
EINECS Number:
-
3-phenylpropyl benzoate
Molecular Formula:
C
16
H
16
O
2
Molecular Weight:
240.302 g/mol
Cas Number:
60045-26-3
EINECS Number:
-
1-(2-chlorophenyl)-2-(2-pyridinyl)ethanol
Molecular Formula:
C
13
H
12
ClNO
Molecular Weight:
233.697 g/mol
Cas Number:
-
EINECS Number:
-
2-(3-methylphenyl)-4-phenyl-1H-imidazole
Molecular Formula:
C
16
H
14
N
2
Molecular Weight:
234.301 g/mol
Cas Number:
-
EINECS Number:
-
2,4-diphenyl-1H-imidazole
Molecular Formula:
C
15
H
12
N
2
Molecular Weight:
220.274 g/mol
Cas Number:
670-83-7
EINECS Number:
-
4-(4-bromophenyl)-2-phenyl-1H-imidazole
Molecular Formula:
C
15
H
11
BrN
2
Molecular Weight:
299.17 g/mol
Cas Number:
-
EINECS Number:
-
ethyl 2-phenyl-1H-imidazole-4-carboxylate
Molecular Formula:
C
12
H
12
N
2
O
2
Molecular Weight:
216.24 g/mol
Cas Number:
32683-00-4
EINECS Number:
-
2-(ethoxy-phenylmethyl)cyclohexan-1-one
Molecular Formula:
C
15
H
20
O
2
Molecular Weight:
232.323 g/mol
Cas Number:
-
EINECS Number:
-
2-(ethoxymethyl)cyclopentanone
Molecular Formula:
C
8
H
14
O
2
Molecular Weight:
142.198 g/mol
Cas Number:
-
EINECS Number:
-
2-allyl-3-chlorotetrahydrofuran
Molecular Formula:
C
7
H
11
ClO
Molecular Weight:
146.616 g/mol
Cas Number:
-
EINECS Number:
-
2-(2-amino-6-methylphenyl)-3-methylaniline
Molecular Formula:
C
14
H
16
N
2
Molecular Weight:
212.295 g/mol
Cas Number:
-
EINECS Number:
-
4-methoxy-N-phenylbenzamide
Molecular Formula:
C
14
H
13
NO
2
Molecular Weight:
227.263 g/mol
Cas Number:
7465-88-5
EINECS Number:
-
4-nitrobenzenesulfinamide
Molecular Formula:
C
6
H
6
N
2
O
3
S
Molecular Weight:
186.191 g/mol
Cas Number:
-
EINECS Number:
-
p-Tolyl disulfide
Molecular Formula:
C
14
H
14
S
2
Molecular Weight:
246.397 g/mol
Cas Number:
103-19-5
EINECS Number:
203-087-5
2-(2,3,4-trimethylphenyl)malononitrile
Molecular Formula:
C
12
H
12
N
2
Molecular Weight:
184.241 g/mol
Cas Number:
-
EINECS Number:
-
2-(2,3,4,6-tetramethylphenyl)malononitrile
Molecular Formula:
C
13
H
14
N
2
Molecular Weight:
198.268 g/mol
Cas Number:
-
EINECS Number:
-
2-(2,4-dimethoxyphenyl)malononitrile
Molecular Formula:
C
11
H
10
N
2
O
2
Molecular Weight:
202.213 g/mol
Cas Number:
-
EINECS Number:
-
4-Chlorophenylacetone
Molecular Formula:
C
9
H
9
ClO
Molecular Weight:
168.623 g/mol
Cas Number:
5586-88-9
EINECS Number:
226-986-4
4-hexyl-5H-furan-2-one
Molecular Formula:
C
10
H
16
O
2
Molecular Weight:
168.236 g/mol
Cas Number:
-
EINECS Number:
-
8-tert-butyl-1,4-dithiaspiro[4.5]decane
Molecular Formula:
C
12
H
22
S
2
Molecular Weight:
230.439 g/mol
Cas Number:
-
EINECS Number:
-
N-phenethyl-4-phenylbutanamide
Molecular Formula:
C
18
H
21
NO
Molecular Weight:
267.371 g/mol
Cas Number:
-
EINECS Number:
-
(2Z,6Z)-8-(benzyloxy)-2,6-dimethyl-2,6-octadien-1-ol
Molecular Formula:
C
17
H
24
O
2
Molecular Weight:
260.376 g/mol
Cas Number:
-
EINECS Number:
-
Methyl tridecanoate
Molecular Formula:
C
14
H
28
O
2
Molecular Weight:
228.375 g/mol
Cas Number:
1731-88-0
EINECS Number:
217-054-8
3-methyl-1-tosyl-pyrrolidine
Molecular Formula:
C
12
H
17
NO
2
S
Molecular Weight:
239.339 g/mol
Cas Number:
-
EINECS Number:
-
3-benzyltetrahydrofuran
Molecular Formula:
C
11
H
14
O
Molecular Weight:
162.232 g/mol
Cas Number:
-
EINECS Number:
-
10-undecen-1-ol
Molecular Formula:
C
11
H
22
O
Molecular Weight:
170.295 g/mol
Cas Number:
112-43-6
EINECS Number:
203-971-0
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