HIT ID: HIT212000559
Cas No: 80573-04-2
分子式: C17H15N3O6
分子量: 357.322
常用名: Balsalazide
氢键受体数 (HBA): 8
氢键供体数 (HBD): 4
LogP: 3.209
IUPAC: 5-[(1E)-2-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazen-1-yl]-2-hydroxybenzoic acid
IUPAC: 5-[(1E)-2-{4-[(2-carboxyethyl)carbamoyl]phenyl}diazen-1-yl]-2-hydroxybenzoic acid
SMILES: OC(=O)CCNC(=O)c1ccc(cc1)\N=N\c1ccc(O)c(c1)C(O)=O
SMILES: OC(=O)CCNC(=O)c1ccc(cc1)\N=N\c1ccc(O)c(c1)C(O)=O
InChI key: IPOKCKJONYRRHP-FMQUCBEESA-N