UCSF

ZINC12505806

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 14 Yes

Popular Name: 3-Chloro-4-methyl-1-benzothiophene-2-carboxylic acid 3-Chloro-4-methyl-1-benzothiophe…

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CAS Numbers: 923772-93-4 , [923772-93-4]

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) 3.72 6.44 -51.62 0 2 -1 40 225.676 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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