Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8XQ6FS6NFG
EPA CompTox DTXSID3064512

Structure

InChI Key SFOYQZYQTQDRIY-UHFFFAOYSA-N
Smiles ClCCCI
InChI
InChI=1S/C3H6ClI/c4-2-1-3-5/h1-3H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H6Cl1I1
Molecular Weight 203.92
AlogP 2.05
Number of Rotational Bond 2.0
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 6940-76-7
NORMAN SUSDAT
FDA SRS 8XQ6FS6NFG
PubChem 81363
ChemSpider 73411.0