Molecule ID: 8405

IUPAC Name: isoquinoline

Description: The molecule is an ortho-fused heteroarene that is a benzopyridine in which the N atom not directly attached to the benzene ring. It is a mancude organic heterobicyclic parent, an azaarene, an ortho-fused heteroarene and a member of isoquinolines.

SMILES: c1ccc2cnccc2c1

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

InChI: InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H

Molecular Properties:
- Polar Surface Area: 12.9 Ų
- LogP: 2.1