HIT ID: HIT212000085
Cas No: 1164475-61-9
分子式: C19H16N2O4S
分子量: 368.41
常用名: BioA-IN-13
氢键受体数 (HBA): 5
氢键供体数 (HBD): 1
LogP: 5.1525536
IUPAC: (4E)-4-(1,3-benzothiazol-2-yl)-5-(4-methyl-3-nitrophenyl)pent-4-enoic acid
IUPAC: (4E)-4-(1,3-benzothiazol-2-yl)-5-(4-methyl-3-nitrophenyl)pent-4-enoic acid
SMILES: Cc1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
SMILES: Cc1ccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)cc1[N+]([O-])=O
InChI key: XEFQYEIZGTWFCR-GXDHUFHOSA-N
