Keyword(s): Human Metabolites
Molecule Category Free-form
UNII PLM4VBZ8MZ
EPA CompTox DTXSID9063291

Structure

InChI Key VZMUCIBBVMLEKC-UHFFFAOYSA-N
Smiles CC1(C)COP(=O)(Cl)OC1
InChI
InChI=1S/C5H10ClO3P/c1-5(2)3-8-10(6,7)9-4-5/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10Cl1O3P1
Molecular Weight 184.01
AlogP 2.41
Hydrogen Bond Acceptor 3.0
Polar Surface Area 35.53
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 4090-55-5
NORMAN SUSDAT
FDA SRS PLM4VBZ8MZ
PubChem 77716
ChemSpider 70117.0