HIT ID: HIT212023587
Cas No: 170571-01-4
分子式: C17H12F3N3O4S
分子量: 411.36
常用名: Celecoxib Carboxylic Acid
氢键受体数 (HBA): 5
氢键供体数 (HBD): 2
LogP: 3.1536033
IUPAC: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid
IUPAC: 4-[1-(4-sulfamoylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]benzoic acid
SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)(F)F
SMILES: NS(=O)(=O)c1ccc(cc1)-n1nc(cc1-c1ccc(cc1)C(O)=O)C(F)(F)F
InChI key: WTHNOVFEXONZMI-UHFFFAOYSA-N