14345 <common-name>1H-Pyrazole-3-carboxylic acid, 4,4'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydro-5-oxo-1-phenyl-, diethyl ester</common-name> <description nil="true"/> <cas>6358-87-8</cas> <pubchem-id>95076</pubchem-id> <chemical-formula>C36H28Cl2N8O6</chemical-formula> <weight>739.6</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">2016-05-19T04:10:27Z</created-at> <updated-at type="dateTime">2026-04-17T18:05:49Z</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>CCOC(=O)C1=NN(C(=O)C1N=NC1=C(Cl)C=C(C=C1)C1=CC(Cl)=C(C=C1)N=NC1C(=O)N(N=C1C(=O)OCC)C1=CC=CC=C1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C36H28Cl2N8O6</moldb-formula> <moldb-inchi>InChI=1S/C36H28Cl2N8O6/c1-3-51-35(49)31-29(33(47)45(43-31)23-11-7-5-8-12-23)41-39-27-17-15-21(19-25(27)37)22-16-18-28(26(38)20-22)40-42-30-32(36(50)52-4-2)44-46(34(30)48)24-13-9-6-10-14-24/h5-20,29-30H,3-4H2,1-2H3</moldb-inchi> <moldb-inchikey>PLYDMIIYRWUYBP-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">739.57</moldb-average-mass> <moldb-mono-mass type="decimal">738.1508861</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>85791</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>CHEM013240</chemdb-id> <dsstox-id>DTXSID20863750</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008093</stoff-ident-id> <susdat-id>NS00006435</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>167.37999999999994</moldb-polar-surface-area> <moldb-refractivity>193.62220000000005</moldb-refractivity> <moldb-polarizability>76.52689981190105</moldb-polarizability> <moldb-rotatable-bond-count>13</moldb-rotatable-bond-count> <moldb-acceptor-count>10</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>8.880734228267965</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-1.3633450607219455</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>6</moldb-number-of-rings> <moldb-alogps-logp>6.60</moldb-alogps-logp> <moldb-alogps-logs>-5.79</moldb-alogps-logs> <moldb-alogps-solubility>1.21e-03 g/l</moldb-alogps-solubility> </compound>