Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D9K92ASQ4D
EPA CompTox DTXSID60179307

Structure

InChI Key WPGHPGAUFIJVJF-UHFFFAOYSA-N
Smiles Clc1cc(Cl)cnc1
InChI
InChI=1S/C5H3Cl2N/c6-4-1-5(7)3-8-2-4/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 2457-47-8
NORMAN SUSDAT
FDA SRS D9K92ASQ4D
PubChem 17153
ChemSpider 16237.0