Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 2VY2X6M7F8
EPA CompTox DTXSID10172282

Structure

InChI Key BYFIUFNRSNKODH-UHFFFAOYSA-N
Smiles c1cnc2c(c1)cc1ccc3cccc4ccc2c1c34
InChI
InChI=1S/C19H11N/c1-3-12-6-7-14-11-15-5-2-10-20-19(15)16-9-8-13(4-1)17(12)18(14)16/h1-11H

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H11N1
Molecular Weight 253.09
AlogP 5.13
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.89
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 189-92-4
NORMAN SUSDAT
FDA SRS 2VY2X6M7F8
PubChem 12435805
ChemSpider 19953113.0