Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J6B56XB19T
EPA CompTox DTXSID9063954

Structure

InChI Key FRPFEVLOFNAKBS-UHFFFAOYSA-N
Smiles Ic1c[nH]cc(I)c1=O
InChI
InChI=1S/C5H3I2NO/c6-3-1-8-2-4(7)5(3)9/h1-2H,(H,8,9)

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H3I2N1O1
Molecular Weight 346.83
AlogP 1.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.86
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 5579-93-1
NORMAN SUSDAT
FDA SRS J6B56XB19T
PubChem 21752
ChemSpider 20444.0