UCSF

ZINC19596400

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 18 Yes

Popular Name: 4-Hydroxy-7-trifluoromethyl-3-quinolinecarboxylic acid 4-Hydroxy-7-trifluoromethyl-3-qu…

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CAS Numbers: 574-92-5 , N/A , [574-92-5]

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) 1.08 6.8 -61.31 1 4 -1 73 256.159 2 ↓
Lo Low (pH 4.5-6) 1.08 5.98 -27.84 2 4 0 76 257.167 2 ↓
Lo Low (pH 4.5-6) 2.38 4.94 -37.75 2 4 0 74 257.167 2 ↓
Lo Low (pH 4.5-6) 2.38 5.53 -118.45 0 4 -2 76 255.151 2 ↓

Vendor Notes

Note Type Comments Provided By
Mp [°C] 259 - 260 Acros Organics
Purity 85% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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