Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8C2BM6P34L
EPA CompTox DTXSID90239660

Structure

InChI Key FUUHMSUPRUNWRQ-UHFFFAOYSA-N
Smiles COc1cc(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C7H4Cl4O/c1-12-4-2-3(8)5(9)7(11)6(4)10/h2H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl4O1
Molecular Weight 243.9
AlogP 4.31
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 938-86-3
NORMAN SUSDAT
FDA SRS 8C2BM6P34L
PubChem 13649
ChemSpider 13060.0