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<compound>
  <id type="integer">334126</id>
  <title nil="true"/>
  <common-name>3-[[2-amino-5-hydroxy-7-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]-2-hydroxy-5-sulfobenzoic acid</common-name>
  <description>3-[[2-amino-5-hydroxy-7-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]-2-hydroxy-5-sulfobenzoic acid is a compound with the formula C23H16N6O13S2. With an average molecular weight of 648.50 g/mol, 3-[[2-amino-5-hydroxy-7-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]-2-hydroxy-5-sulfobenzoic acid is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>135824765</pubchem-id>
  <chemical-formula>C23H16N6O13S2</chemical-formula>
  <weight>648.5</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">2026-08-30T15:43:11Z</created-at>
  <updated-at type="dateTime">2026-08-30T15:43:11Z</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(C2=C1C(=CC(=C2)N=NC3=C(C(=CC(=C3)[N+](=O)[O-])S(=O)(=O)O)O)O)N=NC4=CC(=CC(=C4O)C(=O)O)S(=O)(=O)O)N</moldb-smiles>
  <moldb-formula>C23H16N6O13S2</moldb-formula>
  <moldb-inchi>InChI=1S/C23H16N6O13S2/c24-15-2-1-12-13(20(15)28-27-17-8-11(43(37,38)39)7-14(21(17)31)23(33)34)3-9(4-18(12)30)25-26-16-5-10(29(35)36)6-19(22(16)32)44(40,41)42/h1-8,30-32H,24H2,(H,33,34)(H,37,38,39)(H,40,41,42)</moldb-inchi>
  <moldb-inchikey>SBWKNSHQUQXPCR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">648.0216769</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM330019</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-[[2-amino-5-hydroxy-7-[(2-hydroxy-5-nitro-3-sulfophenyl)diazenyl]naphthalen-1-yl]diazenyl]-2-hydroxy-5-sulfobenzoic 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>Benzene and substituted derivatives</klass>
  <subklass>Benzenesulfonic acids and derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0284604</sync-id>
  <structure-inchikey>SBWKNSHQUQXPCR-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:36:03Z</structure-indexed-at>
</compound>
