Keyword(s): Human Metabolites
Molecule Category Free-form
UNII VUC4O8Q6RO
EPA CompTox DTXSID0059378

Structure

InChI Key GFZMFCVDDFHSJK-UHFFFAOYSA-N
Smiles C=NCC#N
InChI
InChI=1S/C3H4N2/c1-5-3-2-4/h1,3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H4N2
Molecular Weight 68.04
AlogP 0.21
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 36.15
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 109-82-0
NORMAN SUSDAT
FDA SRS VUC4O8Q6RO
PubChem 8015
ChemSpider 7724.0