UCSF

ZINC13544952

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 9 No

Popular Name: 3-Octen-2-one 3-Octen-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1669-44-9 , 18402-82-9

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) 2.56 5.76 -5.02 0 1 0 17 126.199 4 ↓
Ref Reference (pH 7) 2.56 5.73 -4.35 0 1 0 17 126.199 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 60?/16mm Alfa-Aesar
Boiling_Point 60°/16mm Alfa-Aesar
BP 78 / 12 TCI

Activity (Go SEA)

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