Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 908Y6Q0O54
EPA CompTox DTXSID7073939

Structure

InChI Key NCYHCGGUQGDEQW-UHFFFAOYSA-N
Smiles COc1c(Cl)c(Cl)c(Cl)c(Cl)c1OC
InChI
InChI=1S/C8H6Cl4O2/c1-13-7-5(11)3(9)4(10)6(12)8(7)14-2/h1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H6Cl4O2
Molecular Weight 273.91
AlogP 4.32
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 18.46
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 944-61-6
NORMAN SUSDAT
FDA SRS 908Y6Q0O54
PubChem 13677
ChemSpider 13088.0