Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KF4M221YPH
EPA CompTox DTXSID00147863

Structure

InChI Key GGCXLVWDCPTFMN-UHFFFAOYSA-N
Smiles OP(OCCCl)OCCCl
InChI
InChI=1S/C4H9Cl2O3P/c5-1-3-8-10(7)9-4-2-6/h7H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H9Cl2O3P1
Molecular Weight 205.97
AlogP 1.72
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 38.69
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1070-42-4
NORMAN SUSDAT
FDA SRS KF4M221YPH
PubChem 70611
ChemSpider 63779.0