Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WHR1DPG7YS
EPA CompTox DTXSID9021843

Structure

InChI Key FFNVQNRYTPFDDP-UHFFFAOYSA-N
Smiles N#Cc1ccccn1
InChI
InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H4N2
Molecular Weight 104.04
AlogP 0.95
Hydrogen Bond Acceptor 2.0
Polar Surface Area 36.68
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 100-70-9
NORMAN SUSDAT
FDA SRS WHR1DPG7YS
PubChem 7522
ChemSpider 7241.0