Molecule ID: 13192

IUPAC Name: 1,6-diisocyanatohexane

Description: The molecule is a diisocyanate compound with the two isocyanates linked by a hexane-1,6-diyl group. It has a role as a hapten and an allergen.

SMILES: O=C=NCCCCCCN=C=O

SELFIES: [O][=C][=N][C][C][C][C][C][C][N][=C][=O]

InChI: InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2

Molecular Properties:
- Polar Surface Area: 58.9 Ų
- LogP: 3.2