Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40617919

Structure

InChI Key YFDNDAZSTPQDTM-UHFFFAOYSA-N
Smiles NC(=O)C(I)I
InChI
InChI=1S/C2H3I2NO/c3-1(4)2(5)6/h1H,(H2,5,6)

Physicochemical Descriptors

Property Name Value
Molecular Formula C2H3I2N1O1
Molecular Weight 310.83
AlogP 1.72
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 44.08
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 5875-23-0
NORMAN SUSDAT
PubChem 21775922
ChemSpider 10478352.0