UCSF

ZINC01679978

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 Yes

Popular Name: 1,3-Diphenylacetone 1,3-Diphenylacetone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 102-04-5 , [102-04-5]

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) 3.09 2.19 -8.61 0 1 0 17 210.276 4 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 30 - 34 Acros Organics
Melting_Point 32-36? Alfa-Aesar
Melting_Point 32-36° Alfa-Aesar
BP [°C] 330 Acros Organics
Boiling_Point 330? Alfa-Aesar
Boiling_Point 330° Alfa-Aesar
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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