<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">67144</id>
  <title nil="true"/>
  <common-name>Dichlorodibenzo(def,mno)chrysene-6,12-dione</common-name>
  <description>Dichlorodibenzo(def,mno)chrysene-6,12-dione belongs to the benzopyrenes, a subclass of pyrenes within the organic compounds. This benzenoid compound has the chemical formula C22H8Cl2O2 and an average molecular weight of 375.20 g/mol.</description>
  <cas>1324-02-3</cas>
  <pubchem-id>6451231</pubchem-id>
  <chemical-formula>C22H8Cl2O2</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-03T08:52:04Z</created-at>
  <updated-at type="dateTime">2026-04-03T08:52:04Z</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>ClC1=C(Cl)C2=C3C(C=CC4=C3C3=C(C=CC5=C3C(=CC=C5)C4=O)C2=O)=C1</moldb-smiles>
  <moldb-formula>C22H8Cl2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C22H8Cl2O2/c23-14-8-10-5-7-12-18-16(10)19(20(14)24)22(26)13-6-4-9-2-1-3-11(21(12)25)15(9)17(13)18/h1-8H</moldb-inchi>
  <moldb-inchikey>LCTLMIPZSQBZAG-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">375.2</moldb-average-mass>
  <moldb-mono-mass type="decimal">373.990135</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4953704</chemspider-id>
  <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>CHEM063037</chemdb-id>
  <dsstox-id>DTXSID50157518</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00020987</susdat-id>
  <iupac nil="true"/>
  <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>Pyrenes</klass>
  <subklass>Benzopyrenes</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0105330</sync-id>
  <structure-inchikey>LCTLMIPZSQBZAG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000001000000000001100000000000000000000000000020000000000002000000000000000000000000000000000000000400000000400000010000000000000020000000000000000004000000000000000000000000000000000000100000000005000000000000000000000010000001000001000001800000000000000000000000000000000008000000000002000000080000000000040000080000000000000000000000000000000000000000000000040000000000000000000000000010000000000004001200000000000000000000000201000040000000000000400000000000008000000000000000</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�B��������������	
�����������������	
�������
������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:17:30Z</structure-indexed-at>
</compound>
