Molecule ID: 3341

IUPAC Name: 9-chloro-5-(4-hydroxyphenyl)-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Description: The molecule is a benzazepine. It has a role as a dopaminergic antagonist, a vasodilator agent, an alpha-adrenergic agonist, a dopamine agonist and an antihypertensive agent.

SMILES: Oc1ccc(C2CNCCc3c2cc(O)c(O)c3Cl)cc1

SELFIES: [O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][C][N][C][C][C][=C][Ring1][#Branch1][C][=C][Branch1][C][O][C][Branch1][C][O][=C][Ring1][Branch2][Cl][C][=C][Ring2][Ring1][Ring2]

InChI: InChI=1S/C16H16ClNO3/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21/h1-4,7,13,18-21H,5-6,8H2

Molecular Properties:
- Polar Surface Area: 72.7 Ų
- LogP: 2.4