UCSF

ZINC01687404

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 16 Yes

Popular Name: o-Tolyl benzoate o-Tolyl benzoate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 617-02-7 , [617-02-7]

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) 4.21 9.34 -7.93 0 2 0 26 212.248 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 170-172?/11mm Alfa-Aesar
Boiling_Point 170-172°/11mm Alfa-Aesar

Activity (Go SEA)

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