Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1O6X3ML5IP
EPA CompTox DTXSID80195387

Structure

InChI Key FFWCEONGEXZNFU-UHFFFAOYSA-N
Smiles Nc1c2c(ccc1)C(=O)c1c2cccc1
InChI
InChI=1S/C13H9NO/c14-11-7-3-6-10-12(11)8-4-1-2-5-9(8)13(10)15/h1-7H,14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C13H9N1O1
Molecular Weight 195.07
AlogP 2.48
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 43.09
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 4269-15-2
NORMAN SUSDAT
FDA SRS 1O6X3ML5IP
PubChem 20267
ChemSpider 19093.0