Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40180895

Structure

InChI Key WWKKTHALZAYYAI-UHFFFAOYSA-N
Smiles Ic1c(C=O)cccc1
InChI
InChI=1S/C7H5IO/c8-7-4-2-1-3-6(7)5-9/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H5I1O1
Molecular Weight 231.94
AlogP 2.1
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 26260-02-6
NORMAN SUSDAT
PubChem 643439
ChemSpider 558584.0