44739 <common-name>1,8,9,10,11,11-Hexachloro-4-(1,4,5,6,7,7-hexachlorobicyclo[2.2.1]hept-5-en-2-yl)tricyclo[6.2.1.02,7]undec-9-ene</common-name> <description nil="true"/> <cas>26595-57-3</cas> <pubchem-id>46782104</pubchem-id> <chemical-formula>C18H12Cl12</chemical-formula> <weight nil="true"/> <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">2016-06-03T11:06:57Z</created-at> <updated-at type="dateTime">2026-03-31T17:09:06Z</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)C(CC1(Cl)C2(Cl)Cl)C1CCC2C(C1)C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl</moldb-smiles> <moldb-formula>C18H12Cl12</moldb-formula> <moldb-inchi>InChI=1S/C18H12Cl12/c19-9-10(20)16(26)8(4-13(9,23)17(16,27)28)5-1-2-6-7(3-5)15(25)12(22)11(21)14(6,24)18(15,29)30/h5-8H,1-4H2</moldb-inchi> <moldb-inchikey>RFCMCABFBMLNQF-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 nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>23976803</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>CHEM043634</chemdb-id> <dsstox-id>DTXSID40676001</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>Howard & Muir 2013</stoff-ident-origin> <stoff-ident-id>SI00003125</stoff-ident-id> <susdat-id>NS00008716</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>0.0</moldb-polar-surface-area> <moldb-refractivity>133.56539999999995</moldb-refractivity> <moldb-polarizability>54.33015369134037</moldb-polarizability> <moldb-rotatable-bond-count>1</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>8.36</moldb-alogps-logp> <moldb-alogps-logs>-8.95</moldb-alogps-logs> <moldb-alogps-solubility>7.41e-07 g/l</moldb-alogps-solubility> </compound>