Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20181047

Structure

InChI Key TYPVHTOETJVYIV-UHFFFAOYSA-N
Smiles Clc1ccnc(Cl)c1
InChI
InChI=1S/C5H3Cl2N/c6-4-1-2-8-5(7)3-4/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H3Cl2N1
Molecular Weight 146.96
AlogP 2.39
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 26452-80-2
NORMAN SUSDAT
PubChem 33515
ChemSpider 14373.0