UCSF

ZINC01586774

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Substance Information

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

Popular Name: Hexanophenone Hexanophenone

Find On: PubMed — Wikipedia — Google

CAS Number: 942-92-7

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) 3.91 2.1 -6.22 0 1 0 17 176.259 5 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 25 - 26 Acros Organics
Melting_Point 25-27? Alfa-Aesar
Melting_Point 25-27° Alfa-Aesar
MP 26 - 28 Enamine Building Blocks
MP 26...28 Enamine Building Blocks
BP [°C] 265.1 Acros Organics
Boiling_Point 265? Alfa-Aesar
Boiling_Point 265° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

Activity (Go SEA)

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