Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key ODDBBUZTMLEZBW-ONEGZZNKSA-N
Smiles CCC=CCCCl
InChI
InChI=1/C6H11Cl/c1-2-3-4-5-6-7/h3-4H,2,5-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H11Cl
Molecular Weight 118.05
AlogP 2.58
Number of Rotational Bond 3.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 63281-97-0
NORMAN SUSDAT