Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50174866

Structure

InChI Key OEUGDMOJQQLVAZ-UHFFFAOYSA-N
Smiles Ic1cc2c(NC(=O)C2=O)cc1
InChI
InChI=1S/C8H4INO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H4I1N1O2
Molecular Weight 272.93
AlogP 1.43
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.17
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 20780-76-1
NORMAN SUSDAT
PubChem 88695
ChemSpider 80031.0