Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VJ43RN75ZA
EPA CompTox DTXSID70208718

Structure

InChI Key JDQSRCYXSKTAIX-UHFFFAOYSA-N
Smiles ClP(Cl)OCC(Cl)(Cl)Cl
InChI
InChI=1S/C2H2Cl5OP/c3-2(4,5)1-8-9(6)7/h1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H2Cl5O1P1
Molecular Weight 247.83
AlogP 4.08
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 60010-51-7
NORMAN SUSDAT
FDA SRS VJ43RN75ZA
PubChem 108874
ChemSpider 97907.0