<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">334080</id>
  <title nil="true"/>
  <common-name>2-chloro-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]benzenesulfonic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>138395979</pubchem-id>
  <chemical-formula>C23H16ClN3O5S</chemical-formula>
  <weight>481.9</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">2026-08-30T15:40:10Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:40:10Z</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=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC(=C(C=C4)Cl)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C23H16ClN3O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C23H16ClN3O5S/c24-19-11-10-16(13-20(19)33(30,31)32)26-27-21-17-9-5-4-6-14(17)12-18(22(21)28)23(29)25-15-7-2-1-3-8-15/h1-13,28H,(H,25,29)(H,30,31,32)</moldb-inchi>
  <moldb-inchikey>RFADFCIDBKWULV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">481.0499195</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.4</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>CHEM329973</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>2-chloro-5-[[2-hydroxy-3-(phenylcarbamoyl)naphthalen-1-yl]diazenyl]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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass>Naphthols and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284558</sync-id>
  <structure-inchikey>RFADFCIDBKWULV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100200000000000000000000000000000000000020002000004800000000000000000000002000020000000000000400000008000002020000020002020000001000004000000000000000000010000000803000000100000000000001000000000000000000000000000000000000401800000000000000080000000040100000000000000000000000008000000000000040000080000000000000000000000080000000000000800000000140000002000000000000000400090000000000000000200000000000000008000000803000040100000000400000000000000200100000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������!���$���€��@h�������@h�������@h�������@(������@h�������@h��������h��������(�������(������@(������@h�������@(������@h�������@h�������@h�������@h�������@(������@(������@(�������h��������(�������(������@(������@h�������@(������@(������@h�������@h�������� ������ ������(�������(�������`��������h���h���h���h���h��� �� ��(��	 	
h�
�h���h��h��h���h���h���h���h��� �� ��(��� ��h���h���h���h���h���������������� ���h��	h���h���h�B������������
����	�����������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:01Z</structure-indexed-at>
</compound>
