UCSF

ZINC01653218

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 14 No

Popular Name: 2-Tridecanone 2-Tridecanone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 593-08-8 , [593-08-8]

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) 5.34 9.85 -5.07 0 1 0 17 198.35 10 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 133-134?/10mm Alfa-Aesar
Boiling_Point 133-134°/10mm Alfa-Aesar
Melting_Point 29-31? Alfa-Aesar
Melting_Point 29-31° Alfa-Aesar

Activity (Go SEA)

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