UCSF

ZINC01708838

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 13 Yes

Popular Name: 3-Phenylcyclohexanone 3-Phenylcyclohexanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 20795-53-3 , 34993-51-6 , 57344-86-2 , [20795-53-3] , [34993-51-6]

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) 2.73 7.37 -5.65 0 1 0 17 174.243 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
PUBCHEM_PATENT_ID EP0362309A1; EP0362309B1 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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