Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90170180

Structure

InChI Key ZHHCWQGVXYGWCW-UHFFFAOYSA-N
Smiles ClC(Cl)(Cl)COP(=O)(Cl)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C4H4Cl7O3P/c5-3(6,7)1-13-15(11,12)14-2-4(8,9)10/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4Cl7O3P1
Molecular Weight 375.77
AlogP 5.11
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 4.0
Polar Surface Area 35.53
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 17672-53-6
NORMAN SUSDAT
PubChem 87223
ChemSpider 78684.0