Keyword(s): Human Metabolites
Molecule Category Salt-form

Structure

InChI Key XLJMAIOERFSOGZ-UHFFFAOYSA-N
Smiles [K+].[O-]C#N
InChI
InChI=1S/CHNO.K/c2-1-3;/h3H;/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C1H1N1O1
Molecular Weight 80.96
AlogP -4.17
Hydrogen Bond Acceptor 2.0
Polar Surface Area 46.85
Heavy Atoms 4.0

Cross References

Resources Reference
CAS NUMBER 590-28-3
NORMAN SUSDAT
PubChem 540
ChemSpider 525.0