46607 <common-name>N,N'-(2,5-dichloro-1,4-phenylene)bis[4-[(2,5-dichlorophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]</common-name> <description nil="true"/> <cas>40618-31-3</cas> <pubchem-id>162420</pubchem-id> <chemical-formula>C40H22Cl6N6O4</chemical-formula> <weight>863.3</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">2016-06-03T13:22:03Z</created-at> <updated-at type="dateTime">2026-04-17T17:03:44Z</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>ClC1=CC(N\N=C2/C(=O)C(=CC3=CC=CC=C23)C(=O)NC2=CC(Cl)=C(NC(=O)C3=CC4=CC=CC=C4\C(=N/NC4=C(Cl)C=CC(Cl)=C4)C3=O)C=C2Cl)=C(Cl)C=C1</moldb-smiles> <moldb-formula>C40H22Cl6N6O4</moldb-formula> <moldb-inchi>InChI=1S/C40H22Cl6N6O4/c41-21-9-11-27(43)33(15-21)49-51-35-23-7-3-1-5-19(23)13-25(37(35)53)39(55)47-31-17-30(46)32(18-29(31)45)48-40(56)26-14-20-6-2-4-8-24(20)36(38(26)54)52-50-34-16-22(42)10-12-28(34)44/h1-18,49-50H,(H,47,55)(H,48,56)/b51-35-,52-36+</moldb-inchi> <moldb-inchikey>MNLBCOXUPUYNFP-AQWQROAZSA-N</moldb-inchikey> <moldb-average-mass type="decimal">863.35</moldb-average-mass> <moldb-mono-mass type="decimal">859.9833694</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>CHEM045502</chemdb-id> <dsstox-id>DTXSID4068242</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008357</stoff-ident-id> <susdat-id>NS00058102</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>141.11999999999998</moldb-polar-surface-area> <moldb-refractivity>227.27939999999998</moldb-refractivity> <moldb-polarizability>85.53241228201554</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>8</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>9.52275897854988</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>0.9925479078088402</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>7</moldb-number-of-rings> <moldb-alogps-logp>7.91</moldb-alogps-logp> <moldb-alogps-logs>-7.09</moldb-alogps-logs> <moldb-alogps-solubility>7.09e-05 g/l</moldb-alogps-solubility> </compound>