Keyword(s): Human Metabolites
Molecule Category Free-form
UNII UW5QVL647I
EPA CompTox DTXSID4037584

Structure

InChI Key KHCZSJXTDDHLGJ-UHFFFAOYSA-N
Smiles Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6H2Cl5N/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H2Cl5N1
Molecular Weight 262.86
AlogP 4.54
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 26.02
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 527-20-8
NORMAN SUSDAT
FDA SRS UW5QVL647I
PubChem 10693
ChemSpider 10243.0