Keyword(s): Human Metabolites
Molecule Category Free-form
UNII X9F9HN364B
EPA CompTox DTXSID70169012

Structure

InChI Key DTELTOREECFDBC-UHFFFAOYSA-N
Smiles ClC(=O)c1cc(I)ccc1
InChI
InChI=1S/C7H4ClIO/c8-7(10)5-2-1-3-6(9)4-5/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 1711-10-0
NORMAN SUSDAT
FDA SRS X9F9HN364B
PubChem 74378
ChemSpider 66971.0