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

Structure

InChI Key DMKNOEJJJSHSML-UHFFFAOYSA-N
Smiles ClC(CC)CCCC
InChI
InChI=1/C7H15Cl/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H15Cl
Molecular Weight 134.09
AlogP 3.19
Number of Rotational Bond 4.0
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 999-52-0
NORMAN SUSDAT
PubChem 34690