Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9R3MCR55RT
EPA CompTox DTXSID4069393

Structure

InChI Key GUUHKOCYWBEGGX-UHFFFAOYSA-N
Smiles ClCCCCCI
InChI
InChI=1S/C5H10ClI/c6-4-2-1-3-5-7/h1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H10Cl1I1
Molecular Weight 231.95
AlogP 2.83
Number of Rotational Bond 4.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 60274-60-4
NORMAN SUSDAT
FDA SRS 9R3MCR55RT
PubChem 108914
ChemSpider 97945.0