Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XK7MB95ZPN
EPA CompTox DTXSID7065887

Structure

InChI Key PJEXUIKBGBSHBS-UHFFFAOYSA-N
Smiles OCN1CCCC1=O
InChI
InChI=1S/C5H9NO2/c7-4-6-3-1-2-5(6)8/h7H,1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9N1O2
Molecular Weight 115.06
AlogP -0.44
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 40.54
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 15438-71-8
NORMAN SUSDAT
FDA SRS XK7MB95ZPN
PubChem 84911
ChemSpider 76601.0