UCSF

ZINC13547256

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 10 No

Popular Name: 3-Nonen-2-one 3-Nonen-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14309-57-0 , 18402-83-0

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) 3.06 6.54 -4.97 0 1 0 17 140.226 5 ↓

Vendor Notes

Note Type Comments Provided By
BP 107 / 32 TCI
Boiling_Point 85?/12mm Alfa-Aesar
Boiling_Point 85°/12mm Alfa-Aesar

Activity (Go SEA)

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