Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W8X59A4IFQ
EPA CompTox DTXSID5027439

Structure

InChI Key MWFCRQNUHFSUNY-UHFFFAOYSA-N
Smiles Clc1ccc(Cl)c(n1)C(Cl)(Cl)Cl
InChI
InChI=1S/C6H2Cl5N/c7-3-1-2-4(8)12-5(3)6(9,10)11/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Cl5N1
Molecular Weight 262.86
AlogP 4.22
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 1817-13-6
NORMAN SUSDAT
FDA SRS W8X59A4IFQ
PubChem 74554
ChemSpider 67133.0