UCSF

ZINC00164304

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 Yes

Popular Name: (Benzo[b]thiophen-3-yl)acetonitrile (Benzo[b]thiophen-3-yl)acetonitrile

Find On: PubMed — Wikipedia — Google

CAS Number: 3216-48-6

Download: MOL2 SDF SMILES Flexibase

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) 2.80 2.04 -9.25 0 1 0 24 173.24 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 60 - 62 Enamine Building Blocks
MP 60...62 Enamine Building Blocks
Melting_Point 62-66? Alfa-Aesar
Melting_Point 62-66° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )