UCSF

ZINC01733927

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 9 Yes

Popular Name: 1-Cyclohexylethan-1-one 1-Cyclohexylethan-1-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 823-76-7 , 843-76-7 , 95694-03-4 , 98-86-2

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) 2.15 5.33 -4.89 0 1 0 17 126.199 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 34? Alfa-Aesar
Melting_Point 34° Alfa-Aesar
Boiling_Point 181-183? Alfa-Aesar
Boiling_Point 181-183° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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