44731 <common-name>Decabromodiphenylethane ketone</common-name> <description>Decabromodiphenylethane ketone belongs to the stilbenes, a class of phenylpropanoids and polyketides within the organic compounds. With an average molecular weight of 985.21 g/mol, Decabromodiphenylethane ketone is a heavy molecule. The chemical formula for this compound is C14H2Br10O.</description> <cas nil="true"/> <pubchem-id nil="true"/> <chemical-formula>C14H2Br10O</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">2016-06-03T11:06:30Z</created-at> <updated-at type="dateTime">2026-03-27T01:53:28Z</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>BrC1=C(Br)C(Br)=C(CC(=O)C2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C1Br</moldb-smiles> <moldb-formula>C14H2Br10O</moldb-formula> <moldb-inchi>InChI=1S/C14H2Br10O/c15-5-2(6(16)10(20)13(23)9(5)19)1-3(25)4-7(17)11(21)14(24)12(22)8(4)18/h1H2</moldb-inchi> <moldb-inchikey>YWHMURCGRQQKOP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">985.209</moldb-average-mass> <moldb-mono-mass type="decimal">975.193945</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>CHEM043626</chemdb-id> <dsstox-id nil="true"/> <toxcast-id nil="true"/> <stoff-ident-origin>Howard & Muir 2013</stoff-ident-origin> <stoff-ident-id>SI00003090</stoff-ident-id> <susdat-id>NS00007875</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>17.07</moldb-polar-surface-area> <moldb-refractivity>137.41070000000005</moldb-refractivity> <moldb-polarizability>54.317511758978114</moldb-polarizability> <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count> <moldb-acceptor-count>1</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>8.778182287796277</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.733027279662894</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>7.43</moldb-alogps-logp> <moldb-alogps-logs>-7.28</moldb-alogps-logs> <moldb-alogps-solubility>5.14e-05 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Phenylpropanoids and polyketides</superklass> <klass>Stilbenes</klass> <subklass nil="true"/> <paper-count type="integer">3</paper-count> <sync-id>CED0048930</sync-id> <structure-inchikey>YWHMURCGRQQKOP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>20000000000000000000800000000000000000000000000000000000000000000000000000000000040000000000000000000000000000000000000000000000000020000000000000200000000000000020000000000000008000800000000000000000050000000000000000000000000000000008000000000000000000000000000000000000000000000000000000000000000000001000000000000000000000000000000000004000080000000000000000002000000000000000000000000000000000000000000100000000000000040000000000000000000000000000000000000000000000000000000400000000000000000000000000002000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAZAAAAGgAAAIABIwAgAAAAAQZAKAAAAAME BkAoAAAAAwQjACAAAAABBkAoAAAAAwQjACAAAAABBkAoAAAAAwQGAGAAAAAC AgYAKAAAAAMECAAoAAAAAwIGQCgAAAADBAZAKAAAAAMEIwAgAAAAAQZAKAAA AAMEIwAgAAAAAQZAKAAAAAMEIwAgAAAAAQZAKAAAAAMEIwAgAAAAAQZAKAAA AAMEIwAgAAAAAQZAKAAAAAMEIwAgAAAAAQZAKAAAAAMEIwAgAAAAAQsAAQAB AmgMAgMAAgRoDAQFAAQGaAwGBwAHCAAICSgCCAogCgtoDAsMAAsNaAwNDgAN D2gMDxAADxFoDBESABETaAwTFAAGFWgMFRYAFRdoDBcYABcBaAwTCmgMQgIA AAAGARcVBgQCBgsNDxETChcEAAAAAAAAABY= </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T04:12:15Z</structure-indexed-at> </compound>