UCSF

ZINC01671541

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 17 Yes

Popular Name: 2-Benzoylcyclohexanecarboxylic acid 2-Benzoylcyclohexanecarboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 6939-99-7 , 82097-50-5

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) 2.86 1.39 -58.29 0 3 -1 57 231.271 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0885869A1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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