HIT ID: HIT212672313
Cas No: 179105-67-0
分子式: C18H11Cl2NO4
分子量: 376.19
常用名: (Z)-MDL 105519
氢键受体数 (HBA): 4
氢键供体数 (HBD): 3
LogP: 4.6886096
IUPAC: 3-[(1Z)-2-carboxy-2-phenyleth-1-en-1-yl]-4,6-dichloro-1H-indole-2-carboxylic acid
IUPAC: 3-[(1Z)-2-carboxy-2-phenyleth-1-en-1-yl]-4,6-dichloro-1H-indole-2-carboxylic acid
SMILES: OC(=O)C(=C/c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O)\c1ccccc1
SMILES: OC(=O)C(=C/c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O)\c1ccccc1
InChI key: LPWVUDLZUVBQGP-FLIBITNWSA-N
