Synonyms: octachlorocamphene
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.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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0
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Hydrogen bond donors
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0
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Rotatable bonds
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2
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Topological polar surface area
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0
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Molecular weight
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407.81
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XLogP
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4.52
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No. Lipinski's rules broken
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0
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SMILES / InChI / InChIKey
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Canonical SMILES
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ClCC1(CCl)C(=C)C2(C(C1(Cl)C(C2Cl)Cl)(Cl)Cl)Cl
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Isomeric SMILES
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ClCC1(CCl)C(=C)C2(C(C1(Cl)C(C2Cl)Cl)(Cl)Cl)Cl
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InChI
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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
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InChI Key
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OEJNXTAZZBRGDN-UHFFFAOYSA-N
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