Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80146334

Structure

InChI Key PNFHTBDRPOJJTQ-UHFFFAOYSA-N
Smiles CCOP(=O)(CI)OCC
InChI
InChI=1S/C5H12IO3P/c1-3-8-10(7,5-6)9-4-2/h3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H12I1O3P1
Molecular Weight 277.96
AlogP 2.65
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 5.0
Polar Surface Area 35.53
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 10419-77-9
NORMAN SUSDAT
PubChem 82616
ChemSpider 74555.0