UCSF

ZINC01652139

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 13 Yes

Popular Name: 1-(Benzo[d][1,3]dioxol-5-yl)propan-1-one 1-(Benzo[d][1,3]dioxol-5-yl)prop…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 28281-49-4 , [28281-49-4]

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) 2.23 0.89 -9.95 0 3 0 36 178.187 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 165-168?/20mm Alfa-Aesar
Boiling_Point 165-168°/20mm Alfa-Aesar
Melting_Point 35-39? Alfa-Aesar
Melting_Point 35-39° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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