Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YU584Z4CZN
EPA CompTox DTXSID3052305

Structure

InChI Key FXTKWBZFNQHAAO-UHFFFAOYSA-N
Smiles Oc1cc(I)ccc1
InChI
InChI=1S/C6H5IO/c7-5-2-1-3-6(8)4-5/h1-4,8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H5I1O1
Molecular Weight 219.94
AlogP 2.0
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 626-02-8
NORMAN SUSDAT
FDA SRS YU584Z4CZN
PubChem 12272
ChemSpider 11769.0