<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">344675</id>
  <title nil="true"/>
  <common-name>3-[4-[3-[2-(2,4,5-trichlorophenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl 2-(2,4,5-trichlorophenoxy)acetate</common-name>
  <description>3-[4-[3-[2-(2,4,5-trichlorophenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl 2-(2,4,5-trichlorophenoxy)acetate is a chemical compound with the formula C26H28Cl6N2O6. With an average molecular weight of 677.20 g/mol, 3-[4-[3-[2-(2,4,5-trichlorophenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl 2-(2,4,5-trichlorophenoxy)acetate is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>55558</pubchem-id>
  <chemical-formula>C26H28Cl6N2O6</chemical-formula>
  <weight>677.2</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">2026-08-31T06:48:48Z</created-at>
  <updated-at type="dateTime">2026-08-31T06:48:48Z</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>C1CN(CCN1CCCOC(=O)COC2=CC(=C(C=C2Cl)Cl)Cl)CCCOC(=O)COC3=CC(=C(C=C3Cl)Cl)Cl</moldb-smiles>
  <moldb-formula>C26H28Cl6N2O6</moldb-formula>
  <moldb-inchi>InChI=1S/C26H28Cl6N2O6/c27-17-11-21(31)23(13-19(17)29)39-15-25(35)37-9-1-3-33-5-7-34(8-6-33)4-2-10-38-26(36)16-40-24-14-20(30)18(28)12-22(24)32/h11-14H,1-10,15-16H2</moldb-inchi>
  <moldb-inchikey>PYYJLKOQSUVXBZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">674.007853</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>7.7</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>CHEM340568</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-[4-[3-[2-(2,4,5-trichlorophenoxy)acetyl]oxypropyl]piperazin-1-yl]propyl 2-(2,4,5-trichlorophenoxy)acetate</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>Phenoxyacetic acid derivatives</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0295042</sync-id>
  <structure-inchikey>PYYJLKOQSUVXBZ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000000000002080000000000000001000000000000000000000000000000000000000000000000000000200000000000000000000000000000000000000000000000040000000000000000000102400000000010000000000000000000000000001000000000000000010000000000002010000000000000000000000002000000000000000000200000000400000000010000000000000000000000000000000000000000000200008200000000000000108000000a000000000000000002000000000000000000000000000000010000000800002000000000000010000010000000000000040000000010400000000000020000008080000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ����������������(���*���€���`�������`������� ������`�������`������� ������`�������`�������`�������(�������(�������(�������`�������(������@(������@h�������@(������@(������@h�������@(������� ������ ������ ������`�������`�������`�������(�������(�������(�������`�������(������@(������@h�������@(������@(������@h�������@(������� ������ ������ ������������������������������	�	
 
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����� ��h���h���h���h���h������������������������ ��(��������� � h� !h�!"h�"#h�#$h�$%�"&amp;�!'������h�$�h�B������������������� !"#$�����������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:43:57Z</structure-indexed-at>
</compound>
