Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TP2MHC8CJ2
EPA CompTox DTXSID80202207

Structure

InChI Key WMYQAKANKREQLM-UHFFFAOYSA-N
Smiles Clc1cccc2c1[nH]cc2
InChI
InChI=1S/C8H6ClN/c9-7-3-1-2-6-4-5-10-8(6)7/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 53924-05-3
NORMAN SUSDAT
FDA SRS TP2MHC8CJ2
PubChem 104644
ChemSpider 94470.0