Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YYJ34Z13SH
EPA CompTox DTXSID80209978

Structure

InChI Key XMIAFAKRAAMSGX-UHFFFAOYSA-N
Smiles Nc1cccc2ncccc12
InChI
InChI=1S/C9H8N2/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1-6H,10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H8N2
Molecular Weight 144.07
AlogP 1.82
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 38.91
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 611-34-7
NORMAN SUSDAT
FDA SRS YYJ34Z13SH
PubChem 11911
ChemSpider 11417.0