Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5072696

Structure

InChI Key OMYCUQIDXCNEHW-UHFFFAOYSA-N
Smiles Cc1nc2c(o1)cc(cc2)C(=O)c1ccccc1
InChI
InChI=1S/C15H11NO2/c1-10-16-13-8-7-12(9-14(13)18-10)15(17)11-5-3-2-4-6-11/h2-9H,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H11N1O2
Molecular Weight 237.08
AlogP 3.37
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 2.0
Polar Surface Area 43.1
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 72987-33-8
NORMAN SUSDAT
PubChem 175359
ChemSpider 152810.0