Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 89710GTW4Y
EPA CompTox DTXSID90870613

Structure

InChI Key XFLOGTUFKZCFTK-UHFFFAOYSA-N
Smiles IC(C)CCCCCC
InChI
InChI=1/C8H17I/c1-3-4-5-6-7-8(2)9/h8H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H17I
Molecular Weight 240.04
AlogP 3.78
Number of Rotational Bond 5.0
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 557-36-8
NORMAN SUSDAT
FDA SRS 89710GTW4Y
PubChem 11193