Molecule ID: 8530

IUPAC Name: naphthalene-1,4-dione

Description: The molecule is the parent structure of the family of 1,4-naphthoquinones, in which the oxo groups of the quinone moiety are at positions 1 and 4 of the naphthalene ring. Derivatives have pharmacological properties. It derives from a hydride of a naphthalene.

SMILES: O=C1C=CC(=O)c2ccccc21

SELFIES: [O][=C][C][=C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][O]

InChI: InChI=1S/C10H6O2/c11-9-5-6-10(12)8-4-2-1-3-7(8)9/h1-6H

Molecular Properties:
- Polar Surface Area: 34.1 Ų
- LogP: 1.7