Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10198962

Structure

InChI Key MNYMCNKOMVREHV-UHFFFAOYSA-N
Smiles ClCCCOP(OCCCCl)OCCCCl
InChI
InChI=1S/C9H18Cl3O3P/c10-4-1-7-13-16(14-8-2-5-11)15-9-3-6-12/h1-9H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H18Cl3O3P1
Molecular Weight 310.01
AlogP 4.15
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 12.0
Polar Surface Area 27.69
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 50922-79-7
NORMAN SUSDAT
PubChem 6452298
ChemSpider 4954734.0