Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NA7A3S4MUT
EPA CompTox DTXSID7064150

Structure

InChI Key AIMMVWOEOZMVMS-UHFFFAOYSA-N
Smiles NC(=O)C1CC1
InChI
InChI=1S/C4H7NO/c5-4(6)3-1-2-3/h3H,1-2H2,(H2,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H7N1O1
Molecular Weight 85.05
AlogP 0.93
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 44.08
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 6228-73-5
NORMAN SUSDAT
FDA SRS NA7A3S4MUT
PubChem 80376
ChemSpider 72599.0