Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DR9WQW9E5N
EPA CompTox DTXSID20172612

Structure

InChI Key SORQIYFSJAWBNQ-UHFFFAOYSA-N
Smiles CC(C)c1c(I)cccc1
InChI
InChI=1S/C9H11I/c1-7(2)8-5-3-4-6-9(8)10/h3-7H,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H11I1
Molecular Weight 245.99
AlogP 3.41
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 19099-54-8
NORMAN SUSDAT
FDA SRS DR9WQW9E5N
PubChem 87931
ChemSpider 79330.0