Keyword(s): Human Metabolites
Molecule Category Free-form
UNII QK07G0HP47
EPA CompTox DTXSID3058820

Structure

InChI Key QLNJFJADRCOGBJ-UHFFFAOYSA-N
Smiles CCC(=O)N
InChI
InChI=1S/C3H7NO/c1-2-3(4)5/h2H2,1H3,(H2,4,5)

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H7N1O1
Molecular Weight 73.05
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 5.0

Cross References

Resources Reference
CAS NUMBER 79-05-0
NORMAN SUSDAT
FDA SRS QK07G0HP47
PubChem 6578
ChemSpider 6330.0