Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AFU99GZS5D
EPA CompTox DTXSID1063936

Structure

InChI Key AUQDITHEDVOTCU-UHFFFAOYSA-N
Smiles N#CC1CC1
InChI
InChI=1S/C4H5N/c5-3-4-1-2-4/h4H,1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H5N1
Molecular Weight 67.04
AlogP 0.92
Hydrogen Bond Acceptor 1.0
Polar Surface Area 23.79
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 5500-21-0
NORMAN SUSDAT
FDA SRS AFU99GZS5D
PubChem 79637
ChemSpider 71940.0