Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30179894

Structure

InChI Key SVLZRCRXNHITBY-UHFFFAOYSA-N
Smiles Clc1cccc2c1cc[nH]2
InChI
InChI=1S/C8H6ClN/c9-7-2-1-3-8-6(7)4-5-10-8/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 25235-85-2
NORMAN SUSDAT
PubChem 91345
ChemSpider 82482.0