Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 27F4BFU2DR
EPA CompTox DTXSID2049341

Structure

InChI Key ANOOTOPTCJRUPK-UHFFFAOYSA-N
Smiles CCCCCCI
InChI
InChI=1S/C6H13I/c1-2-3-4-5-6-7/h2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H13I1
Molecular Weight 212.01
AlogP 3.0
Number of Rotational Bond 4.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 638-45-9
NORMAN SUSDAT
FDA SRS 27F4BFU2DR
PubChem 12527
ChemSpider 12010.0