Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9RB2R81A7U
EPA CompTox DTXSID8022080

Structure

InChI Key VAPDZNUFNKUROY-UHFFFAOYSA-N
Smiles Oc1c(I)cc(I)cc1I
InChI
InChI=1S/C6H3I3O/c7-3-1-4(8)6(10)5(9)2-3/h1-2,10H

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H3I3O1
Molecular Weight 471.73
AlogP 3.21
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 609-23-4
NORMAN SUSDAT
FDA SRS 9RB2R81A7U
PubChem 11862
ChemSpider 11369.0