Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FY4KZ93RHK
EPA CompTox DTXSID5061904

Structure

InChI Key NJAKCIUOTIPYED-UHFFFAOYSA-N
Smiles ClC(=O)c1ccc(I)cc1
InChI
InChI=1S/C7H4ClIO/c8-7(10)5-1-3-6(9)4-2-5/h1-4H

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H4Cl1I1O1
Molecular Weight 265.9
AlogP 2.67
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 17.07
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1711-02-0
NORMAN SUSDAT
FDA SRS FY4KZ93RHK
PubChem 74373
ChemSpider 66966.0