Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0DNX22ZOWK
EPA CompTox DTXSID40862669

Structure

InChI Key RHAHLPAWJVKXAZ-UHFFFAOYSA-N
Smiles CC(C)O[P](C)(Cl)=O
InChI
InChI=1S/C4H10ClO2P/c1-4(2)7-8(3,5)6/h4H,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10Cl1O2P1
Molecular Weight 156.01
AlogP 2.47
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 1445-76-7
NORMAN SUSDAT
FDA SRS 0DNX22ZOWK