Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50880955

Structure

InChI Key JCOBFNLNQZNQJC-UHFFFAOYSA-N
Smiles CCOP(CC)OCC.FC(F)(F)C(F)(F)C(F)(F)I
InChI
InChI=1S/C6H15O2P/c1-4-7-9(6-3)8-5-2/h4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H15O2P1
Molecular Weight 150.08
AlogP 2.39
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 18.46
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 72220-37-2
NORMAN SUSDAT