Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 3COS3X3N4P
EPA CompTox DTXSID10199550

Structure

InChI Key LQZMLBORDGWNPD-UHFFFAOYSA-N
Smiles IN1C(=O)CCC1=O
InChI
InChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-2H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H4I1N1O2
Molecular Weight 224.93
AlogP 0.49
Hydrogen Bond Acceptor 2.0
Polar Surface Area 37.38
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 516-12-1
NORMAN SUSDAT
FDA SRS 3COS3X3N4P
PubChem 120273
ChemSpider 6417.0