UCSF

ZINC06092782

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2006 16 Yes

Popular Name: 4-Cyano-4-(4-fluorophenyl)cyclohexanone 4-Cyano-4-(4-fluorophenyl)cycloh…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 56326-98-8 , [56326-98-8]

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) 2.04 3.48 -9.91 0 2 0 40 217.243 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 91-94? Alfa-Aesar
Melting_Point 91-94° Alfa-Aesar
Purity 98% Fluorochem

Activity (Go SEA)

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