Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WM26PC2SBW
EPA CompTox DTXSID2051895

Structure

InChI Key FILKGCRCWDMBKA-UHFFFAOYSA-N
Smiles Clc1cccc(Cl)n1
InChI
InChI=1S/C5H3Cl2N/c6-4-2-1-3-5(7)8-4/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 2402-78-0
NORMAN SUSDAT
FDA SRS WM26PC2SBW
PubChem 16989
ChemSpider 16095.0