Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8GD4M9C3GV
EPA CompTox DTXSID10161858

Structure

InChI Key NSKPFWAAYDFCFS-UHFFFAOYSA-N
Smiles OC(=O)c1c(I)ccc(I)c1
InChI
InChI=1S/C7H4I2O2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4I2O2
Molecular Weight 373.83
AlogP 2.59
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 37.3
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 14192-12-2
NORMAN SUSDAT
FDA SRS 8GD4M9C3GV
PubChem 26549
ChemSpider 24730.0