Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K97B12J636
EPA CompTox DTXSID8020888

Structure

InChI Key JRLTTZUODKEYDH-UHFFFAOYSA-N
Smiles Cc1cccc2cccnc12
InChI
InChI=1S/C10H9N/c1-8-4-2-5-9-6-3-7-11-10(8)9/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 611-32-5
NORMAN SUSDAT
FDA SRS K97B12J636
PubChem 11910
ChemSpider 11416.0