Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F54S6C1C6H
EPA CompTox DTXSID7061304

Structure

InChI Key BLMIXWDJHNJWDT-UHFFFAOYSA-N
Smiles ClCCCCC=C
InChI
InChI=1S/C6H11Cl/c1-2-3-4-5-6-7/h2H,1,3-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11Cl1
Molecular Weight 118.05
AlogP 2.58
Number of Rotational Bond 4.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 928-89-2
NORMAN SUSDAT
FDA SRS F54S6C1C6H
PubChem 70233
ChemSpider 63418.0