UCSF

ZINC00391816

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 16 Yes

Popular Name: Benzyl nicotinate Benzyl nicotinate

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CAS Numbers: 94-44-0 , [94-44-0]

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) 2.13 7.35 -6.72 0 3 0 39 213.236 4 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 179-180?/5mm Alfa-Aesar
Boiling_Point 179-180°/5mm Alfa-Aesar
BP 189 / 12 TCI
Melting_Point 21-23? Alfa-Aesar
Melting_Point 21-23° Alfa-Aesar
Purity 97% Fluorochem

Activity (Go SEA)

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