Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70274251

Structure

InChI Key WDLBXPUJJVVRGX-UHFFFAOYSA-N
Smiles CC(Cl)COP(=O)(OCC(C)Cl)OC(C)CCl
InChI
InChI=1S/C9H18Cl3O4P/c1-7(11)5-14-17(13,15-6-8(2)12)16-9(3)4-10/h7-9H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18Cl3O4P1
Molecular Weight 326.0
AlogP 4.03
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 44.76
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 76649-15-5
NORMAN SUSDAT
PubChem 93459
ChemSpider 84363.0