HIT ID: HIT212672729
Cas No: 1071970-13-2
分子式: C16H8F2N2O3
分子量: 314.248
常用名: Xanthine oxidase-IN-1
氢键受体数 (HBA): 4
氢键供体数 (HBD): 2
LogP: 4.09916
IUPAC: 4-(3-cyano-5,6-difluoro-1H-indol-1-yl)-2-hydroxybenzoic acid
IUPAC: 4-(3-cyano-5,6-difluoro-1H-indol-1-yl)-2-hydroxybenzoic acid
SMILES: OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(F)c(F)cc12
SMILES: OC(=O)c1ccc(cc1O)-n1cc(C#N)c2cc(F)c(F)cc12
InChI key: XOTXQKAIMHHNNN-UHFFFAOYSA-N