Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50240015

Structure

InChI Key VSHBABSXFHFTJN-UHFFFAOYSA-N
Smiles CON1CCOCC1
InChI
InChI=1S/C5H11NO2/c1-7-6-2-4-8-5-3-6/h2-5H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H11N1O2
Molecular Weight 117.08
AlogP -0.12
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 1.0
Polar Surface Area 21.7
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 93965-16-3
NORMAN SUSDAT
PubChem 3023125
ChemSpider 2289422.0