UCSF

ZINC01586755

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 Yes

Popular Name: Butyrophenone Butyrophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 495-40-9 , [495-40-9]

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) 2.90 1.86 -6.29 0 1 0 17 148.205 3 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 11 - 13 Acros Organics
Melting_Point 11-13? Alfa-Aesar
Melting_Point 11-13° Alfa-Aesar
Boiling_Point 222? Alfa-Aesar
Boiling_Point 222° Alfa-Aesar
BP [°C] 228 - 230 Acros Organics
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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