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<compound>
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  <title nil="true"/>
  <common-name>3-[(3-benzamido-2-hydroxy-5-methylphenyl)diazenyl]-2-hydroxy-5-nitrobenzenesulfonic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>135666403</pubchem-id>
  <chemical-formula>C20H16N4O8S</chemical-formula>
  <weight>472.4</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">2026-08-29T20:01:18Z</created-at>
  <updated-at type="dateTime">2026-08-29T20:01:18Z</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>CC1=CC(=C(C(=C1)N=NC2=C(C(=CC(=C2)[N+](=O)[O-])S(=O)(=O)O)O)O)NC(=O)C3=CC=CC=C3</moldb-smiles>
  <moldb-formula>C20H16N4O8S</moldb-formula>
  <moldb-inchi>InChI=1S/C20H16N4O8S/c1-11-7-14(21-20(27)12-5-3-2-4-6-12)18(25)15(8-11)22-23-16-9-13(24(28)29)10-17(19(16)26)33(30,31)32/h2-10,25-26H,1H3,(H,21,27)(H,30,31,32)</moldb-inchi>
  <moldb-inchikey>AERRKGXMJFSOQZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">472.0688847</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</logp>
  <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>CHEM316761</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-[(3-benzamido-2-hydroxy-5-methylphenyl)diazenyl]-2-hydroxy-5-nitrobenzenesulfonic 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>Azobenzenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0271597</sync-id>
  <structure-inchikey>AERRKGXMJFSOQZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000002000000000000000000000000000000200000000000000000000000000000000000020000000004800000000000000000000002000000000000000008000000008000000020000020000000000000001004000000400000000000010000000a20000000100000400000001000100000000000000000000000000040000000800000000000000080000000001100000080000000000022100000000000000000000000084800000000000000000000080001000000000000000000000000002000000000000000400000000000002000000200000000001000408100000000000040000008000500000000401000004000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���#���€���`������@(������@h�������@(������@(������@(������@h��������(�������(������@(������@(������@(������@h�������@(������@h������� *��������(������ *���ÿ���� ������(�������(�������`�������h��������h��������h��������(�������(������@(������@h�������@h�������@h�������@h�������@h������������h���h���h���h���h��� ��(��	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:25:53Z</structure-indexed-at>
</compound>
