16628 <common-name>2-Butenediamide, N1,N4-bis(2,4,6-tribromophenyl)-, (2E)-</common-name> <description nil="true"/> <cas>92484-07-6</cas> <pubchem-id>3086350</pubchem-id> <chemical-formula>C16H8Br6N2O2</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">2016-05-19T04:53:08Z</created-at> <updated-at type="dateTime">2026-03-27T01:52:25Z</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>OC(C=CC(O)=NC1=C(Br)C=C(Br)C=C1Br)=NC1=C(Br)C=C(Br)C=C1Br</moldb-smiles> <moldb-formula>C16H8Br6N2O2</moldb-formula> <moldb-inchi>InChI=1S/C16H8Br6N2O2/c17-7-3-9(19)15(10(20)4-7)23-13(25)1-2-14(26)24-16-11(21)5-8(18)6-12(16)22/h1-6H,(H,23,25)(H,24,26)</moldb-inchi> <moldb-inchikey>IJUNKLAVMFKPCX-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">739.676</moldb-average-mass> <moldb-mono-mass type="decimal">733.568606</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4953100</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>CHEM015523</chemdb-id> <dsstox-id>DTXSID40888243</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>PubChem</stoff-ident-origin> <stoff-ident-id>SI00004938</stoff-ident-id> <susdat-id>NS00007841</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>65.18</moldb-polar-surface-area> <moldb-refractivity>128.40860000000006</moldb-refractivity> <moldb-polarizability>49.41180364286112</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>4</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>-9.254396263887315</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>15.301029995675309</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>6.25</moldb-alogps-logp> <moldb-alogps-logs>-6.57</moldb-alogps-logs> <moldb-alogps-solubility>1.99e-04 g/l</moldb-alogps-solubility> </compound>