<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">316117</id>
  <title nil="true"/>
  <common-name>4-[[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]diazenyl]benzenesulfonic acid</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>110312</pubchem-id>
  <chemical-formula>C19H16N4O4S</chemical-formula>
  <weight>396.4</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">2026-08-29T13:45:28Z</created-at>
  <updated-at type="dateTime">2026-08-29T13:45:28Z</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)O)N=NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)S(=O)(=O)O</moldb-smiles>
  <moldb-formula>C19H16N4O4S</moldb-formula>
  <moldb-inchi>InChI=1S/C19H16N4O4S/c1-13-2-11-19(24)18(12-13)23-22-15-5-3-14(4-6-15)20-21-16-7-9-17(10-8-16)28(25,26)27/h2-12,24H,1H3,(H,25,26,27)</moldb-inchi>
  <moldb-inchikey>ZXCHETMWIZQJRC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">396.0892262</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.2</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>CHEM312010</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>4-[[4-[(2-hydroxy-5-methylphenyl)diazenyl]phenyl]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>Organoheterocyclic compounds</superklass>
  <klass>Azobenzenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0266958</sync-id>
  <structure-inchikey>ZXCHETMWIZQJRC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000002000000000000000000000000000000200000001000000000000000000001000000024001000000000000000000000000000000000000000000000000000000008000000020000020000000000000001004000000000000000000010000000000000000100000000000001000000000000000000004000000000040000000000000000000000000000000000000000000000000008000000000000000000000000000080000000000000000000000188001000000000000000000000100002100000000000000000080000000002000000200000000000000000100000002000040000000000000000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>511000208d13824081001bc08128a0000000140081052000203520408224085c4c020010119000000000410800800000046002a4408d32010024643900a04010c6110c00128006030090504000f212000854858051211f3240040422400241000c3005270048820048008400c59c004920c480500101c4045198000002510002104000080efc82080c060250482c0008191d08124c001c821300082000424080404310101090c00000000860017c25100ac000008941084010000a1008c00212a00000a404c80032018084005401028008010000020051000d4000000840030090004010088100000000000350122080005000308042040ec008100050000600</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�B����������������
�����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:22:15Z</structure-indexed-at>
</compound>
