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

Structure

InChI Key CGWZJKHGFXYCCI-UHFFFAOYSA-N
Smiles ClC1(Cl)CC21C3CCC(C3)C2(C)C
InChI
InChI=1/C11H16Cl2/c1-9(2)7-3-4-8(5-7)10(9)6-11(10,12)13/h7-8H,3-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H16Cl2
Molecular Weight 218.06
AlogP 4.01
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 23627-49-8
NORMAN SUSDAT
PubChem 85818