Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 849G62JOM2
EPA CompTox DTXSID9058026

Structure

InChI Key QSGNQELHULIMSJ-POHAHGRESA-N
Smiles COP(=O)(OC)OC(=CCl)c1c(Cl)cc(Cl)cc1
InChI
InChI=1S/C10H10Cl3O4P/c1-15-18(14,16-2)17-10(6-11)8-4-3-7(12)5-9(8)13/h3-6H,1-2H3/b10-6+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H10Cl3O4P1
Molecular Weight 329.94
AlogP 4.95
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 5.0
Polar Surface Area 44.76
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 2274-67-1
NORMAN SUSDAT
FDA SRS 849G62JOM2
PubChem 6433329
ChemSpider 4938499.0