45548 <common-name>methyl 2-amino-4-[[(2,5-dichlorophenyl)amino]carbonyl]benzoate</common-name> <description nil="true"/> <cas>59673-82-4</cas> <pubchem-id>761588</pubchem-id> <chemical-formula>C15H12Cl2N2O3</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">2016-06-03T12:15:03Z</created-at> <updated-at type="dateTime">2026-04-05T02:59:31Z</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>COC(=O)C1=C(N)C=C(C=C1)N=C(O)C1=C(Cl)C=CC(Cl)=C1</moldb-smiles> <moldb-formula>C15H12Cl2N2O3</moldb-formula> <moldb-inchi>InChI=1S/C15H12Cl2N2O3/c1-22-15(21)10-4-3-9(7-13(10)18)19-14(20)11-6-8(16)2-5-12(11)17/h2-7H,18H2,1H3,(H,19,20)</moldb-inchi> <moldb-inchikey>PDWBHZYCNIOXCB-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">339.17</moldb-average-mass> <moldb-mono-mass type="decimal">338.0224977</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>CHEM044443</chemdb-id> <dsstox-id>DTXSID60886362</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00006367</stoff-ident-id> <susdat-id>NS00056611</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>84.91000000000001</moldb-polar-surface-area> <moldb-refractivity>88.6819</moldb-refractivity> <moldb-polarizability>33.15633365300466</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>3.7014273467193615</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>0.9853848670343125</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>3.41</moldb-alogps-logp> <moldb-alogps-logs>-4.69</moldb-alogps-logs> <moldb-alogps-solubility>6.85e-03 g/l</moldb-alogps-solubility> </compound>