<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">325246</id>
  <title nil="true"/>
  <common-name>[4-bromo-2-[(e)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate</common-name>
  <description>[4-bromo-2-[(e)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is a chemical compound with the formula C21H14BrClN2O4. It has an average molecular weight of 473.70 g/mol.</description>
  <cas>769150-13-2</cas>
  <pubchem-id>9636948</pubchem-id>
  <chemical-formula>C21H14BrClN2O4</chemical-formula>
  <weight>473.7</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">2026-08-30T02:56:24Z</created-at>
  <updated-at type="dateTime">2026-08-30T02:56:24Z</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(C(=C1)C(=O)OC2=C(C=C(C=C2)Br)C=NNC(=O)C3=CC=C(C=C3)O)Cl</moldb-smiles>
  <moldb-formula>C21H14BrClN2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C21H14BrClN2O4/c22-15-7-10-19(29-21(28)17-3-1-2-4-18(17)23)14(11-15)12-24-25-20(27)13-5-8-16(26)9-6-13/h1-12,26H,(H,25,27)/b24-12+</moldb-inchi>
  <moldb-inchikey>NDYMOPDSYCAVPW-WYMPLXKRSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">471.98255</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.2</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>CHEM321139</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-bromo-2-[(e)-[(4-hydroxybenzoyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate</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>Phenylpropanoids and polyketides</superklass>
  <klass>Depsides and depsidones</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0275888</sync-id>
  <structure-inchikey>NDYMOPDSYCAVPW-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000040000000000000400000000000000000000000000202000000000002000000000000000000000000000002000000000000000000400000000000000000000020400000000300000004800040000200000000010000000000400080100000000400080000000040020000000000000000002000000000800000000000000084000000000100000000000000000000000000084000000000000000084000002000000001000000000000000000000000000000000000002000000100000080400010004000000040000200000020000000000000000000001040000000000400100000000020000180000000000000</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��� ��(��� �	 	
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  <structure-indexed-at type="dateTime">2026-09-19T05:29:11Z</structure-indexed-at>
</compound>
