11140 <common-name>Dechlorane Plus</common-name> <description nil="true"/> <cas>13560-89-9</cas> <pubchem-id>26111</pubchem-id> <chemical-formula>C18H12Cl12</chemical-formula> <weight>653.7</weight> <appearance nil="true"/> <melting-point nil="true"/> <boiling-point nil="true"/> <density nil="true"/> <solubility nil="true"/> <specific-gravity nil="true"/> <flash-point nil="true"/> <vapour-pressure nil="true"/> <route-of-exposure nil="true"/> <target nil="true"/> <mechanism-of-toxicity nil="true"/> <metabolism nil="true"/> <toxicity nil="true"/> <lethaldose nil="true"/> <carcinogenicity nil="true"/> <use-source nil="true"/> <min-risk-level nil="true"/> <health-effects nil="true"/> <symptoms nil="true"/> <treatment nil="true"/> <created-at type="dateTime">2016-05-19T03:15:32Z</created-at> <updated-at type="dateTime">2026-08-19T22:44:42Z</updated-at> <interacting-proteins nil="true"/> <wikipedia nil="true"/> <uniprot-id nil="true"/> <kegg-compound-id nil="true"/> <omim-id nil="true"/> <chebi-id nil="true"/> <biocyc-id nil="true"/> <ctd-id nil="true"/> <stitch-id nil="true"/> <drugbank-id nil="true"/> <pdb-id nil="true"/> <actor-id nil="true"/> <organism nil="true"/> <export type="boolean">true</export> <metabolizing-proteins nil="true"/> <transporting-proteins nil="true"/> <moldb-smiles>ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl</moldb-smiles> <moldb-formula>C18H12Cl12</moldb-formula> <moldb-inchi>InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2</moldb-inchi> <moldb-inchikey>UGQQAJOWXNCOPY-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">653.69</moldb-average-mass> <moldb-mono-mass type="decimal">647.7201328</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>8</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>24323</chemspider-id> <structure-image-file-name nil="true"/> <structure-image-content-type nil="true"/> <structure-image-file-size type="integer" nil="true"/> <structure-image-updated-at type="dateTime" nil="true"/> <biodb-id nil="true"/> <synthesis-reference nil="true"/> <structure-image-caption nil="true"/> <chemdb-id>CHEM010035</chemdb-id> <dsstox-id>DTXSID7027750</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00000878</stoff-ident-id> <susdat-id>NS00004487</susdat-id> <iupac>1,6,7,8,9,14,15,16,17,17,18,18-dodecachloropentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene</iupac> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>133.48839999999996</moldb-refractivity> <moldb-polarizability>54.138897554334264</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>0</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic nil="true"/> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>5</moldb-number-of-rings> <moldb-alogps-logp>8.29</moldb-alogps-logp> <moldb-alogps-logs>-8.89</moldb-alogps-logs> <moldb-alogps-solubility>8.44e-07 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organohalogen compounds</superklass> <klass>Vinyl halides</klass> <subklass>Vinyl chlorides</subklass> </compound>