Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FXK6W2A3GT
EPA CompTox DTXSID40209979

Structure

InChI Key KNDOFJFSHZCKGT-UHFFFAOYSA-N
Smiles Clc1c2ccccc2ncc1
InChI
InChI=1S/C9H6ClN/c10-8-5-6-11-9-4-2-1-3-7(8)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 611-35-8
NORMAN SUSDAT
FDA SRS FXK6W2A3GT
PubChem 69140
ChemSpider 62356.0