19088 <common-name>Ethyl(4,5,6,7,8,8-hexachloro-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)mercury</common-name> <description nil="true"/> <cas>2597-93-5</cas> <pubchem-id>17437</pubchem-id> <chemical-formula>C11H7Cl6HgNO2</chemical-formula> <weight>598.5</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">2016-05-22T04:48:14Z</created-at> <updated-at type="dateTime">2026-08-25T16:13:16Z</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>[Hg+].[CH2]C.[O-]C1=NC(=O)C2C1C1(Cl)C(Cl)=C(Cl)C2(Cl)C1(Cl)Cl</moldb-smiles> <moldb-formula>C11H7Cl6HgNO2</moldb-formula> <moldb-inchi>InChI=1S/C9H3Cl6NO2.C2H5.Hg/c10-3-4(11)8(13)2-1(5(17)16-6(2)18)7(3,12)9(8,14)15;1-2;/h1-2H,(H,16,17,18);1H2,2H3;/q;;+1/p-1</moldb-inchi> <moldb-inchikey>HTCXJNNIWILFQQ-UHFFFAOYSA-M</moldb-inchikey> <moldb-average-mass type="decimal">598.47</moldb-average-mass> <moldb-mono-mass type="decimal">596.831438</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id nil="true"/> <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>CHEM017983</chemdb-id> <dsstox-id>DTXSID7044558</dsstox-id> <toxcast-id>44558</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00122068</susdat-id> <iupac>ethyl-(1,7,8,9,10,10-hexachloro-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)mercury</iupac> <moldb-polar-surface-area>52.49</moldb-polar-surface-area> <moldb-refractivity>81.39139999999999</moldb-refractivity> <moldb-polarizability>27.53484765501259</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>3.259487074957867</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.021999380314472</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>4.05</moldb-alogps-logp> <moldb-alogps-logs>-3.18</moldb-alogps-logs> <moldb-alogps-solubility>3.76e-01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Isoindoles and derivatives</klass> <subklass>Isoindolines</subklass> </compound>