Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40177785

Structure

InChI Key BJDNLARFUVNOND-UHFFFAOYSA-N
Smiles Oc1cc2c3c(ccc2)c(=O)[nH]c(=O)c3c1
InChI
InChI=1S/C12H7NO3/c14-7-4-6-2-1-3-8-10(6)9(5-7)12(16)13-11(8)15/h1-5,14H,(H,13,15,16)

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H7N1O3
Molecular Weight 213.04
AlogP 2.0
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 69.89
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 23204-41-3
NORMAN SUSDAT
PubChem 90029
ChemSpider 81274.0