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<compound>
  <id type="integer">127234</id>
  <title nil="true"/>
  <common-name>Trinitrophloroglucinol, lead salt</common-name>
  <description>Trinitrophloroglucinol, lead salt belongs to the nitrophenols, a subclass of phenols within the organic compounds. It is classified under the superclass of benzenoids. The compound has the formula C6H3N3O9 and an average molecular weight of 261.10 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>6452411</pubchem-id>
  <chemical-formula>C6H3N3O9</chemical-formula>
  <weight>261.1</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">2026-04-06T11:02:46Z</created-at>
  <updated-at type="dateTime">2026-09-01T09:30:55Z</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=C(C(=C(C(=C1O)[N+](=O)[O-])O[N+](=O)[O-])[N+](=O)[O-])O</moldb-smiles>
  <moldb-formula>C6H3N3O9</moldb-formula>
  <moldb-inchi>InChI=1S/C6H3N3O9/c10-2-1-3(11)5(8(14)15)6(18-9(16)17)4(2)7(12)13/h1,10-11H</moldb-inchi>
  <moldb-inchikey>FBRWMAISGZLTOL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">260.9869287</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.1</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>CHEM123127</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00121244</susdat-id>
  <iupac>(3,5-dihydroxy-2,6-dinitrophenyl) nitrate</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>Phenols</klass>
  <subklass>Nitrophenols</subklass>
  <paper-count type="integer">2</paper-count>
  <sync-id>CED0050055</sync-id>
  <structure-inchikey>FBRWMAISGZLTOL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000100400000000000000000000000000000000000000000000000000000000000000400000000000000000000000000000000000000000000000000000000000000000000000000000020000000000140001000000000400000000000010000000200000000100000000000000000000000000000002000000000000000000000000000000000000000000000001000000000000000000000000000000000000000000000080000000000000000000000000000000000000000000800000000002100000000000000000000000000000000000000000000000000000001000000000040000000000000080000001000000000000000000600</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:48:07Z</structure-indexed-at>
</compound>
