Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AY2C9T5FRZ
EPA CompTox DTXSID0062929

Structure

InChI Key ZBIKORITPGTTGI-UHFFFAOYSA-N
Smiles CC(=O)O[I](OC(=O)C)c1ccccc1
InChI
InChI=1S/C10H11IO4/c1-8(12)14-11(15-9(2)13)10-6-4-3-5-7-10/h3-7H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H11I1O4
Molecular Weight 321.97
AlogP 2.32
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 3.0
Polar Surface Area 52.6
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 3240-34-4
NORMAN SUSDAT
FDA SRS AY2C9T5FRZ
PubChem 76724
ChemSpider 69182.0