<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">89361</id>
  <title nil="true"/>
  <common-name>8-Hydroxy-7-iodoquinolinesulphonic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3015493</pubchem-id>
  <chemical-formula>C9H6INO4S</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">2026-04-04T23:40:25Z</created-at>
  <updated-at type="dateTime">2026-04-04T23:40:25Z</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>OC1=C(I)C=CC2=C1N(C=CC2)S(O)(=O)=O</moldb-smiles>
  <moldb-formula>C9H6INO4S</moldb-formula>
  <moldb-inchi>InChI=1/C9H6INO4S/c10-6-3-1-5-2-4-7(16(13,14)15)11-8(5)9(6)12/h1-4,12H,(H,13,14,15)</moldb-inchi>
  <moldb-inchikey>FZTIYEMFMFVAMK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">353.13</moldb-average-mass>
  <moldb-mono-mass type="decimal">350.9062267</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>CHEM085254</chemdb-id>
  <dsstox-id>DTXSID20952552</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00050229</susdat-id>
  <iupac nil="true"/>
  <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>Hydroxyquinolines</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0079462</sync-id>
  <structure-inchikey>PKSDDLOFRMVSMZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000000000000020000000000000200000000400000000000000000000000000020000000000000000000000000002000000001000000000000000002002008000000000000020048000000000000000000000000000000000010000000000000001000000000000020100100000000000040000000000000000000000000000000280000000200000000000000000080000000000000000000000200000000000080000000000000000000000080000000800000000000200000000002000000000000000000000000000000000000200000000000000000000008000000040000000000000000000000000080000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���h�������@(������@(�����5� �����@h�������@h�������@(������@(�������(�������h��������h��������`������� ������`�������(�������(�������� ��h������h���h���h���h��� �	 	
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�������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:32:38Z</structure-indexed-at>
</compound>
