Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KLX2QO8EUY
EPA CompTox DTXSID40197307

Structure

InChI Key AUGKLUNRHYPDAM-UHFFFAOYSA-N
Smiles CC(=CC#N)C
InChI
InChI=1S/C5H7N/c1-5(2)3-4-6/h3H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H7N1
Molecular Weight 81.06
AlogP 1.48
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 4786-24-7
NORMAN SUSDAT
FDA SRS KLX2QO8EUY
PubChem 94301
ChemSpider 85104.0