Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z832LH3NSW
EPA CompTox DTXSID20191409

Structure

InChI Key QBOBFSGHAHQYNU-UHFFFAOYSA-N
Smiles ClP(OCCCl)OCCCl
InChI
InChI=1/C4H8Cl3O2P/c5-1-3-8-10(7)9-4-2-6/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Cl3O2P
Molecular Weight 223.93
AlogP 2.96
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 18.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 37984-64-8
NORMAN SUSDAT
FDA SRS Z832LH3NSW
PubChem 15518883