Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FMJ30GB9J6
EPA CompTox DTXSID10169793

Structure

InChI Key MYTGFBZJLDLWQG-UHFFFAOYSA-N
Smiles Clc1cc2c([nH]cc2)cc1
InChI
InChI=1S/C8H6ClN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Cl1N1
Molecular Weight 151.02
AlogP 2.82
Hydrogen Bond Donor 1.0
Polar Surface Area 15.79
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 17422-32-1
NORMAN SUSDAT
FDA SRS FMJ30GB9J6
PubChem 87110
ChemSpider 78577.0