Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8326YNM2B3
EPA CompTox DTXSID5021918

Structure

InChI Key KJDRSWPQXHESDQ-UHFFFAOYSA-N
Smiles ClCCCCCl
InChI
InChI=1S/C4H8Cl2/c5-3-1-2-4-6/h1-4H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H8Cl2
Molecular Weight 126.0
AlogP 2.24
Number of Rotational Bond 3.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 110-56-5
NORMAN SUSDAT
FDA SRS 8326YNM2B3
PubChem 8059
ChemSpider 21106032.0