44702 <common-name>Tetrabromodihydroxyl­pyrene</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C16H6Br4O2</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">2016-06-03T11:05:11Z</created-at> <updated-at type="dateTime">2026-03-26T23:07:04Z</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>OC1=C(O)C2=C(Br)C=C(Br)C3=C2C2=C(C=C3)C(Br)=CC(Br)=C12</moldb-smiles> <moldb-formula>C16H6Br4O2</moldb-formula> <moldb-inchi>InChI=1S/C16H6Br4O2/c17-7-3-9(19)13-11-5(7)1-2-6-8(18)4-10(20)14(12(6)11)16(22)15(13)21/h1-4,21-22H</moldb-inchi> <moldb-inchikey>MUGPDNGZFLSQGQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">549.838</moldb-average-mass> <moldb-mono-mass type="decimal">545.710131</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>CHEM043597</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>Howard & Muir 2013</stoff-ident-origin> <stoff-ident-id>SI00003048</stoff-ident-id> <susdat-id>NS00005159</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>40.46</moldb-polar-surface-area> <moldb-refractivity>101.17560000000003</moldb-refractivity> <moldb-polarizability>38.92250672802062</moldb-polarizability> <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>8.343828827617205</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.464669705781469</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>4</moldb-number-of-rings> <moldb-alogps-logp>6.85</moldb-alogps-logp> <moldb-alogps-logs>-6.35</moldb-alogps-logs> <moldb-alogps-solubility>2.44e-04 g/l</moldb-alogps-solubility> </compound>