Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LLR69F3JMZ
EPA CompTox DTXSID5062766

Structure

InChI Key GPYDMVZCPRONLW-UHFFFAOYSA-N
Smiles Ic1ccc(cc1)-c1ccc(I)cc1
InChI
InChI=1S/C12H8I2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H8I2
Molecular Weight 405.87
AlogP 4.56
Number of Rotational Bond 1.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 3001-15-8
NORMAN SUSDAT
FDA SRS LLR69F3JMZ
PubChem 76348
ChemSpider 68825.0