Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6GHZ8PDL63
EPA CompTox DTXSID70188400

Structure

InChI Key QZZYYBQGTSGDPP-UHFFFAOYSA-N
Smiles N#Cc1cnc2ccccc2c1
InChI
InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H6N2
Molecular Weight 154.05
AlogP 2.11
Hydrogen Bond Acceptor 2.0
Polar Surface Area 36.68
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 34846-64-5
NORMAN SUSDAT
FDA SRS 6GHZ8PDL63
PubChem 93177
ChemSpider 84121.0