UCSF

ZINC34925426

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 15 Yes

Popular Name: 2-Methoxy-3-(trifluoromethyl)benzoic acid 2-Methoxy-3-(trifluoromethyl)ben…

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CAS Numbers: , 119692-41-0 , 937068-58-1 , [937068-58-1]

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) 2.79 6.03 -47.29 0 3 -1 49 219.138 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 113-116? Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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