UCSF

ZINC12370194

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 12 Yes

Popular Name: benzo[b]thiophene-7-carboxylic acid benzo[b]thiophene-7-carboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10134-95-9 , 10134-98-2 , [10134-98-2]

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) 2.43 0.15 -55.1 0 2 -1 40 177.204 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 169 - 171 Enamine Building Blocks
MP 169...171 Enamine Building Blocks
Mp [°C] 176.5 - 178.5 Acros Organics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
H phrase H315: Causes skin irritation Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
R phrase R22: Harmful if swallowed. Acros Organics
S phrase S22: Do not breathe dust. Acros Organics
Hazard XN: Harmful Acros Organics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.