46655 <common-name>N,N'-naphthalene-1,5-diylbis[4-[(2,3-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]</common-name> <description nil="true"/> <cas>68516-75-6</cas> <pubchem-id>5490429</pubchem-id> <chemical-formula>C44H26Cl4N6O4</chemical-formula> <weight>844.5</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">2016-06-03T13:25:40Z</created-at> <updated-at type="dateTime">2026-04-17T18:32:16Z</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>OC(=NC1=CC=CC2=C1C=CC=C2N=C(O)C1=CC2=CC=CC=C2\C(=N\NC2=CC=CC(Cl)=C2Cl)C1=O)C1=CC2=CC=CC=C2\C(=N/NC2=CC=CC(Cl)=C2Cl)C1=O</moldb-smiles> <moldb-formula>C44H26Cl4N6O4</moldb-formula> <moldb-inchi>InChI=1S/C44H26Cl4N6O4/c45-31-15-7-19-35(37(31)47)51-53-39-25-11-3-1-9-23(25)21-29(41(39)55)43(57)49-33-17-5-14-28-27(33)13-6-18-34(28)50-44(58)30-22-24-10-2-4-12-26(24)40(42(30)56)54-52-36-20-8-16-32(46)38(36)48/h1-22,51-52H,(H,49,57)(H,50,58)/b53-39-,54-40+</moldb-inchi> <moldb-inchikey>BUYSBTOYLGJGAQ-OOJZLWMKSA-N</moldb-inchikey> <moldb-average-mass type="decimal">844.53</moldb-average-mass> <moldb-mono-mass type="decimal">842.0769641</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>4590349</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>CHEM045550</chemdb-id> <dsstox-id>DTXSID201015066</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008443</stoff-ident-id> <susdat-id>NS00008479</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>148.1</moldb-polar-surface-area> <moldb-refractivity>235.6302</moldb-refractivity> <moldb-polarizability>87.36264615838832</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>10</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>3.4673560880495753</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.3562714389497637</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>8</moldb-number-of-rings> <moldb-alogps-logp>6.88</moldb-alogps-logp> <moldb-alogps-logs>-6.68</moldb-alogps-logs> <moldb-alogps-solubility>1.76e-04 g/l</moldb-alogps-solubility> </compound>