Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1YC9RBW2G0
EPA CompTox DTXSID60210108

Structure

InChI Key DTBDAFLSBDGPEA-UHFFFAOYSA-N
Smiles Cc1cnc2ccccc2c1
InChI
InChI=1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)11-7-8/h2-7H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H9N1
Molecular Weight 143.07
AlogP 2.54
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 612-58-8
NORMAN SUSDAT
FDA SRS 1YC9RBW2G0
PubChem 11926
ChemSpider 11432.0