Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00168598

Structure

InChI Key UQOZVZTUJNRMBV-UHFFFAOYSA-N
Smiles OC(=O)c1c(O)cc(I)cc1
InChI
InChI=1S/C7H5IO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5I1O3
Molecular Weight 263.93
AlogP 1.7
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 57.53
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 16870-28-3
NORMAN SUSDAT
PubChem 72874
ChemSpider 65706.0