Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AW25B80501
EPA CompTox DTXSID9065811

Structure

InChI Key KREYIEXCOLYLAV-UHFFFAOYSA-N
Smiles Cc1cnnc2c1cccc2
InChI
InChI=1S/C9H8N2/c1-7-6-10-11-9-5-3-2-4-8(7)9/h2-6H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8N2
Molecular Weight 144.07
AlogP 1.94
Hydrogen Bond Acceptor 2.0
Polar Surface Area 25.78
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 14722-38-4
NORMAN SUSDAT
FDA SRS AW25B80501
PubChem 26843
ChemSpider 25004.0