Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 55FY7XX7MH
EPA CompTox DTXSID70212810

Structure

InChI Key GBKZRUCVLTWAML-UHFFFAOYSA-N
Smiles Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1
InChI
InChI=1S/C6H3Cl4N/c7-2-1-3(11)5(9)6(10)4(2)8/h1H,11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3Cl4N1
Molecular Weight 228.9
AlogP 3.88
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 634-83-3
NORMAN SUSDAT
FDA SRS 55FY7XX7MH
PubChem 12466
ChemSpider 11956.0