Keyword(s): Human Metabolites
Molecule Category Free-form
UNII TWW7V7Q50P
EPA CompTox DTXSID1060213

Structure

InChI Key JYJVVHFRSFVEJM-UHFFFAOYSA-N
Smiles O=[I]c1ccccc1
InChI
InChI=1S/C6H5IO/c8-7-6-4-2-1-3-5-6/h1-5H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5I1O1
Molecular Weight 219.94
AlogP 2.17
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 536-80-1
NORMAN SUSDAT
FDA SRS TWW7V7Q50P
PubChem 92125
ChemSpider 83171.0