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
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Physico-chemical Properties
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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
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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
Selectivity at nuclear hormone receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Estrogen-related receptor-α Mm Antagonist Antagonist - - - 1