Substance Information
In ZINC since |
Heavy atoms |
Benign functionality |
November 1st, 2008 |
18 |
Yes
|
Popular Name:
(Cyano-2 benzyl)-5 tetrahydro-4,5,6,7 thieno(3,2-c)pyridine [French]; 2-((4,5,6,7-Tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)benzonitrile; Benzonitrile, 2-((4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)-; Benzonitrile, 2-((6,7-dihydrothieno(3,2-c)py
(Cyano-2 benzyl)-5 tetrahydro-4,…
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Other Names:
5-o-Cyanobenzyl-4,5,6,7-tetrahydrothieno(3,2-c)pyridine methanesulfonate; Benzonitirle, o-((4,5,6,7-tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)-, methanesulfonate; LS-38787; o-((4,5,6,7-Tetrahydrothieno(3,2-c)pyridin-5-yl)methyl)benzonitrile methanesulfon
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Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
2.71 |
7.67 |
-7.59 |
0 |
2 |
0 |
27 |
254.358 |
2 |
↓
|
No pre-computed analogs available. Try a structural similarity search.