Molecule ID: 447874

IUPAC Name: 4-(2,7-phenanthrolin-9-yl)phenol

Description: The molecule is a member of the class of phenanthrolines that is 2,7-phenanthroline substituted at position 9 by a 4-hydroxyphenyl group. It has a role as an EC 2.7.11.24 (mitogen-activated protein kinase) inhibitor. It is a member of phenanthrolines and a member of phenols.

SMILES: Oc1ccc(-c2cnc3ccc4ccncc4c3c2)cc1

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

InChI: InChI=1S/C18H12N2O/c21-15-4-1-12(2-5-15)14-9-16-17-11-19-8-7-13(17)3-6-18(16)20-10-14/h1-11,21H

Molecular Properties:
- Polar Surface Area: 46.0 Ų
- LogP: 3.6