Molecule ID: 44286

IUPAC Name: chrysen-4-ol

Description: The molecule is a hydroxychrysene that is chrysene in which the hydrogen at position 4 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene. It has a role as a xenobiotic metabolite.

SMILES: Oc1cccc2ccc3c4ccccc4ccc3c12

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

InChI: InChI=1S/C18H12O/c19-17-7-3-5-13-9-10-15-14-6-2-1-4-12(14)8-11-16(15)18(13)17/h1-11,19H

Molecular Properties:
- Polar Surface Area: 20.2 Ų
- LogP: 5.3