Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 66XM91RPZK
EPA CompTox DTXSID0026258

Structure

InChI Key LUVCTYHBTXSAMX-UHFFFAOYSA-N
Smiles ClCCOP(OCCCl)OCCCl
InChI
InChI=1S/C6H12Cl3O3P/c7-1-4-10-13(11-5-2-8)12-6-3-9/h1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12Cl3O3P1
Molecular Weight 267.96
AlogP 2.98
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 27.69
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 140-08-9
NORMAN SUSDAT
FDA SRS 66XM91RPZK
PubChem 8783
ChemSpider 8453.0