UCSF

ZINC04284473

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 11 Yes

Popular Name: m-Tolyl acetate m-Tolyl acetate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 122-46-3 , 68083-58-9 , [122-46-3]

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) 1.91 6.38 -7.6 0 2 0 26 150.177 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 100?/14mm Alfa-Aesar
Boiling_Point 100°/14mm Alfa-Aesar
MP 12 TCI
BP 212 TCI
Therapy antiseptic (topical) SMDC Pharmakon

Activity (Go SEA)

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