UCSF

ZINC16158715

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2008 15 Yes

Popular Name: Methyl 4-hydroxy-3-(trifluoromethyl)benzoate Methyl 4-hydroxy-3-(trifluoromet…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 115933-50-1 , [115933-50-1]

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) 2.92 3.4 -7.97 1 3 0 47 220.146 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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