Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F27L34A8B9
EPA CompTox DTXSID5052175

Structure

InChI Key KQDJTBPASNJQFQ-UHFFFAOYSA-N
Smiles Oc1c(I)cccc1
InChI
InChI=1S/C6H5IO/c7-5-3-1-2-4-6(5)8/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 533-58-4
NORMAN SUSDAT
FDA SRS F27L34A8B9
PubChem 10784
ChemSpider 10328.0