Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key HJSRGOVAIOPERP-UHFFFAOYSA-N
Smiles Clc1cccc2ncccc12
InChI
InChI=1S/C9H6ClN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H6Cl1N1
Molecular Weight 163.02
AlogP 2.89
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 635-27-8
NORMAN SUSDAT