Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KMT7V9LLBR
EPA CompTox DTXSID7060120

Structure

InChI Key JKXQKGNGJVZKFA-UHFFFAOYSA-N
Smiles CC(=CCCl)C
InChI
InChI=1S/C5H9Cl/c1-5(2)3-4-6/h3H,4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C5H9Cl1
Molecular Weight 104.04
AlogP 2.19
Number of Rotational Bond 1.0
Heavy Atoms 6.0

Cross References

Resources Reference
CAS NUMBER 503-60-6
NORMAN SUSDAT
FDA SRS KMT7V9LLBR
PubChem 10429
ChemSpider 10000.0