Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10887405

Structure

InChI Key PLUXGFREPRMQHY-UHFFFAOYSA-N
Smiles O=P(OCC(Cl)CCl)(OC(CCl)CCl)OC(CCl)CCl
InChI
InChI=1/C9H15Cl6O4P/c10-1-7(15)6-17-20(16,18-8(2-11)3-12)19-9(4-13)5-14/h7-9H,1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15Cl6O4P
Molecular Weight 427.88
AlogP 4.68
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 12.0
Polar Surface Area 44.76
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 68460-03-7
NORMAN SUSDAT
PubChem 50203