Keyword(s): Human Metabolites
Molecule Category Free-form
UNII JO95X48M8O
EPA CompTox DTXSID0049317

Structure

InChI Key KMWHQYDMBYABKL-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCI
InChI
InChI=1S/C16H33I/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H33I1
Molecular Weight 352.16
AlogP 6.9
Number of Rotational Bond 14.0
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 544-77-4
NORMAN SUSDAT
FDA SRS JO95X48M8O
PubChem 11007
ChemSpider 10541.0