UCSF

ZINC00394609

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 10 Yes

Popular Name: (S)-1-(3-Chlorophenyl)ethanol (S)-1-(3-Chlorophenyl)ethanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 120121-01-9 , 135145-34-5 , 5182-44-5 , 6939-95-3 , [135145-34-5] , [6939-95-3]

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) 2.16 -1.08 -3.49 1 1 0 20 156.612 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 246 TCI
Boiling_Point 83-85?/1.5mm Alfa-Aesar
Boiling_Point 83-85°/1.5mm Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem

Activity (Go SEA)

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