toxaphene   Click here for help

GtoPdb Ligand ID: 2830

Synonyms: octachlorocamphene
Compound class: Synthetic organic
Comment: Toxaphene is a complex mixture of hundreds of different chlorinated compounds. The structure shown here is representative of one of these compounds and is the same as the one displayed in the PubChem entry linked to above.
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 0
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 0
Molecular weight 407.81
XLogP 4.52
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES ClCC1(CCl)C(=C)C2(C(C1(Cl)C(C2Cl)Cl)(Cl)Cl)Cl
Isomeric SMILES ClCC1(CCl)C(=C)C2(C(C1(Cl)C(C2Cl)Cl)(Cl)Cl)Cl
InChI InChI=1S/C10H8Cl8/c1-4-7(2-11,3-12)9(16)6(14)5(13)8(4,15)10(9,17)18/h5-6H,1-3H2
Download 2D Structure Click here for help
Canonical SMILES Download
Isomeric SMILES Download
InChI standard identifier Download
InChI standard key Download

Molecular structure representations generated using Open Babel