Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 977ZE83TAE
EPA CompTox DTXSID9065029

Structure

InChI Key JXOSPTBRSOYXGC-UHFFFAOYSA-N
Smiles ClCCCCI
InChI
InChI=1S/C4H8ClI/c5-3-1-2-4-6/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Cl1I1
Molecular Weight 217.94
AlogP 2.44
Number of Rotational Bond 3.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 10297-05-9
NORMAN SUSDAT
FDA SRS 977ZE83TAE
PubChem 82527
ChemSpider 74479.0