UCSF

ZINC03177021

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 15 Yes

Popular Name: 8-Chloro-2-methyl-quinoline-4-carboxylic acid 8-Chloro-2-methyl-quinoline-4-ca…

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CAS Numbers: 52413-67-9 , [52413-67-9]

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) 2.82 -0.05 -45.77 0 3 -1 53 220.635 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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