Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XU5R5VQ87S
EPA CompTox DTXSID7024085

Structure

InChI Key UDPGUMQDCGORJQ-UHFFFAOYSA-N
Smiles OP(O)(=O)CCCl
InChI
InChI=1S/C2H6ClO3P/c3-1-2-7(4,5)6/h1-2H2,(H2,4,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H6Cl1O3P1
Molecular Weight 143.97
AlogP 0.4
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 57.53
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 16672-87-0
NORMAN SUSDAT
FDA SRS XU5R5VQ87S
PubChem 27982
ChemSpider 26031.0