Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8PCE86U01W
EPA CompTox DTXSID0024216

Structure

InChI Key DCUJJWWUNKIJPH-UHFFFAOYSA-N
Smiles Clc1cccc(n1)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H3Cl4N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl4N1
Molecular Weight 228.9
AlogP 3.56
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 1929-82-4
NORMAN SUSDAT
FDA SRS 8PCE86U01W
PubChem 16004
ChemSpider 15205.0