UCSF

ZINC20269204

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 13 Yes

Popular Name: 6-Chloroindole-3-carboxylic acid 6-Chloroindole-3-carboxylic acid

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CAS Numbers: 766557-02-2 , [766557-02-2]

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) 2.31 4.61 -54.54 1 3 -1 56 194.597 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 219 - 221 Enamine Building Blocks
MP 219...221 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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