Keyword(s): Human Metabolites
Molecule Category Free-form
UNII XN7T264NL4
EPA CompTox DTXSID80206725

Structure

InChI Key RJSRSRITMWVIQT-UHFFFAOYSA-N
Smiles Nc1cc2cccnc2cc1
InChI
InChI=1S/C9H8N2/c10-8-3-4-9-7(6-8)2-1-5-11-9/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 580-15-4
NORMAN SUSDAT
FDA SRS XN7T264NL4
PubChem 11373
ChemSpider 16499297.0