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

Structure

InChI Key PFQSDXLYGCHPFF-UHFFFAOYSA-N
Smiles ClC(Cl)(OP(OC(Cl)(Cl)CC)OC(Cl)(Cl)CC)CC
InChI
InChI=1/C9H15Cl6O3P/c1-4-7(10,11)16-19(17-8(12,13)5-2)18-9(14,15)6-3/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H15Cl6O3P
Molecular Weight 411.89
AlogP 6.89
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 9.0
Polar Surface Area 27.69
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 26604-52-4
NORMAN SUSDAT
PubChem 21141079