Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80928899

Structure

InChI Key IYUKFAFDFHZKPI-UHFFFAOYSA-N
Smiles Cl.COC(=O)[C@H](C)N
InChI
InChI=1/C4H9NO2.ClH/c1-3(5)4(6)7-2;/h3H,5H2,1-2H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10ClNO2
Molecular Weight 139.04
AlogP -0.07
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 52.32
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 13515-97-4
NORMAN SUSDAT
PubChem 2756298
ChemSpider 2037062.0