Keyword(s): Human Metabolites
Molecule Category Free-form
UNII C592309ECU
EPA CompTox DTXSID7049425

Structure

InChI Key NLDYACGHTUPAQU-UHFFFAOYSA-N
Smiles N#CC(=C(C#N)C#N)C#N
InChI
InChI=1S/C6N4/c7-1-5(2-8)6(3-9)4-10

Physicochemical Descriptors

Property Name Value
Molecular Formula C6N4
Molecular Weight 128.01
AlogP 0.38
Hydrogen Bond Acceptor 4.0
Polar Surface Area 95.16
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 670-54-2
NORMAN SUSDAT
FDA SRS C592309ECU
PubChem 12635
ChemSpider 12114.0