Molecule ID: 1242

IUPAC Name: 5-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol

Description: The molecule is a benzazepine that is 2,3,4,5-tetrahydro-3-benzazepine bearing a phenyl substituent at position 1 and two hydroxy substituents at positions 7 and 8. It is a benzazepine, a member of catechols and a secondary amino compound.

SMILES: Oc1cc2c(cc1O)C(c1ccccc1)CNCC2

SELFIES: [O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][N][C][C][Ring1][S]

InChI: InChI=1S/C16H17NO2/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11/h1-5,8-9,14,17-19H,6-7,10H2

Molecular Properties:
- Polar Surface Area: 52.5 Ų
- LogP: 2.5