Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KYU7KY3TKH
EPA CompTox DTXSID4060868

Structure

InChI Key UWLHSHAHTBJTBA-UHFFFAOYSA-N
Smiles CCCCCCCCI
InChI
InChI=1S/C8H17I/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17I1
Molecular Weight 240.04
AlogP 3.78
Number of Rotational Bond 6.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 629-27-6
NORMAN SUSDAT
FDA SRS KYU7KY3TKH
PubChem 12380
ChemSpider 10720.0