Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RP759CBJ5C
EPA CompTox DTXSID70145972

Structure

InChI Key SGLGUTWNGVJXPP-UHFFFAOYSA-N
Smiles N#Cc1cc(cc(c1)C#N)C#N
InChI
InChI=1S/C9H3N3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H3N3
Molecular Weight 153.03
AlogP 1.3
Hydrogen Bond Acceptor 3.0
Polar Surface Area 71.37
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 10365-94-3
NORMAN SUSDAT
FDA SRS RP759CBJ5C
PubChem 82587
ChemSpider 74529.0