Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7YHC64YM0S
EPA CompTox DTXSID4028967

Structure

InChI Key VLJIVLGVKMTBOD-UHFFFAOYSA-N
Smiles Clc1ccc(cn1)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H3Cl4N/c7-5-2-1-4(3-11-5)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 69045-78-9
NORMAN SUSDAT
FDA SRS 7YHC64YM0S
PubChem 50293
ChemSpider 45607.0