46293 <common-name>N,N'-(2-chloro-1,4-phenylene)bis[4-[(4-chloro-2-nitrophenyl)azo]-3-hydroxynaphthalene-2-carboxamide]</common-name> <description nil="true"/> <cas>35869-64-8</cas> <pubchem-id>136064473</pubchem-id> <chemical-formula>C40H23Cl3N8O8</chemical-formula> <weight>850.0</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">2016-06-03T12:55:06Z</created-at> <updated-at type="dateTime">2026-04-17T16:55:36Z</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(Cl)=C(C=C1)N=C(O)C1=CC2=CC=CC=C2C(=NNC2=C(C=C(Cl)C=C2)N(=O)=O)C1=O)C1=CC2=CC=CC=C2C(=NNC2=C(C=C(Cl)C=C2)N(=O)=O)C1=O</moldb-smiles> <moldb-formula>C40H23Cl3N8O8</moldb-formula> <moldb-inchi>InChI=1S/C40H23Cl3N8O8/c41-22-9-12-31(33(17-22)50(56)57)46-48-35-25-7-3-1-5-20(25)15-27(37(35)52)39(54)44-24-11-14-30(29(43)19-24)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-32-13-10-23(42)18-34(32)51(58)59/h1-19,46-47H,(H,44,54)(H,45,55)</moldb-inchi> <moldb-inchikey>MEDUCLLDAABWSK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">850.02</moldb-average-mass> <moldb-mono-mass type="decimal">848.0704428</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>21229985</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>CHEM045188</chemdb-id> <dsstox-id>DTXSID3067948</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00007447</stoff-ident-id> <susdat-id>NS00021225</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>239.73999999999995</moldb-polar-surface-area> <moldb-refractivity>229.02459999999996</moldb-refractivity> <moldb-polarizability>84.6596301457739</moldb-polarizability> <moldb-rotatable-bond-count>10</moldb-rotatable-bond-count> <moldb-acceptor-count>14</moldb-acceptor-count> <moldb-donor-count>4</moldb-donor-count> <moldb-pka-strongest-acidic>3.2187259199033678</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>2.1194575201400756</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>7</moldb-number-of-rings> <moldb-alogps-logp>5.92</moldb-alogps-logp> <moldb-alogps-logs>-6.56</moldb-alogps-logs> <moldb-alogps-solubility>2.32e-04 g/l</moldb-alogps-solubility> </compound>