Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40212049

Structure

InChI Key QHRZMGDJNNDMGZ-UHFFFAOYSA-N
Smiles Cc1cccc2cnccc12
InChI
InChI=1S/C10H9N/c1-8-3-2-4-9-7-11-6-5-10(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 62882-01-3
NORMAN SUSDAT
PubChem 3085255
ChemSpider 2342199.0