HIT ID: HIT212714083
Cas No: 221132-62-3
分子式: C18H16ClNO2
分子量: 313.78
常用名: (S)-Desmethyl-NNC112
氢键受体数 (HBA): 2
氢键供体数 (HBD): 2
LogP: 2.6831841
IUPAC: (5S)-5-(1-benzofuran-7-yl)-8-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
IUPAC: (5S)-5-(1-benzofuran-7-yl)-8-chloro-2,3,4,5-tetrahydro-1H-3-benzazepin-7-ol
SMILES: Oc1cc2[C@H](CNCCc2cc1Cl)c1cccc2ccoc12
SMILES: Oc1cc2[C@H](CNCCc2cc1Cl)c1cccc2ccoc12
InChI key: FNSOIGQMVWZWDF-OAHLLOKOSA-N