Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BH194BAK0B
EPA CompTox DTXSID4052186

Structure

InChI Key VSMDINRNYYEDRN-UHFFFAOYSA-N
Smiles OC1=CC=C(I)C=C1
InChI
InChI=1S/C6H5IO/c7-5-1-3-6(8)4-2-5/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 540-38-5
NORMAN SUSDAT
FDA SRS BH194BAK0B
PubChem 10894
ChemSpider 10432.0