Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FZ623S5E22
EPA CompTox DTXSID7051765

Structure

InChI Key GCTFDMFLLBCLPF-UHFFFAOYSA-N
Smiles Clc1cnc(Cl)cc1
InChI
InChI=1S/C5H3Cl2N/c6-4-1-2-5(7)8-3-4/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 16110-09-1
NORMAN SUSDAT
FDA SRS FZ623S5E22
PubChem 27685
ChemSpider 16094.0