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<compound>
  <id type="integer">337817</id>
  <title nil="true"/>
  <common-name>3-[7-(4-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid</common-name>
  <description>3-[7-(4-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid is a compound with the formula C24H16N2O6S2. It has an average molecular weight of 492.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>10051335</pubchem-id>
  <chemical-formula>C24H16N2O6S2</chemical-formula>
  <weight>492.5</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">2026-08-30T20:47:05Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:47:05Z</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>C1=CC(=CC(=C1)S(=O)(=O)O)C2=C3C=CC4=C(C=CN=C4C3=NC=C2)C5=CC=C(C=C5)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C24H16N2O6S2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H16N2O6S2/c27-33(28,29)17-6-4-15(5-7-17)19-10-12-25-23-21(19)8-9-22-20(11-13-26-24(22)23)16-2-1-3-18(14-16)34(30,31)32/h1-14H,(H,27,28,29)(H,30,31,32)</moldb-inchi>
  <moldb-inchikey>GTBSSZZGINYBDZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">492.0449786</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.2</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <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>CHEM333710</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3-[7-(4-sulfophenyl)-1,10-phenanthrolin-4-yl]benzenesulfonic acid</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Organoheterocyclic compounds</superklass>
  <klass>Quinolines and derivatives</klass>
  <subklass>Phenylquinolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0288246</sync-id>
  <structure-inchikey>GTBSSZZGINYBDZ-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:47Z</structure-indexed-at>
</compound>
