<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">325385</id>
  <title nil="true"/>
  <common-name>[3-[(e)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate</common-name>
  <description>[3-[(e)-(benzoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate is a chemical compound with the formula C21H15ClN2O3. It has an average molecular weight of 378.80 g/mol.</description>
  <cas>402723-02-8</cas>
  <pubchem-id>9669729</pubchem-id>
  <chemical-formula>C21H15ClN2O3</chemical-formula>
  <weight>378.8</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">2026-08-30T03:06:16Z</created-at>
  <updated-at type="dateTime">2026-08-30T03:06:16Z</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)NN=CC2=CC(=CC=C2)OC(=O)C3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C21H15ClN2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C21H15ClN2O3/c22-18-11-9-17(10-12-18)21(26)27-19-8-4-5-15(13-19)14-23-24-20(25)16-6-2-1-3-7-16/h1-14H,(H,24,25)/b23-14+</moldb-inchi>
  <moldb-inchikey>SQYLROSHXBHOSF-OEAKJJBVSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">378.07712</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.9</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>CHEM321278</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-[(e)-(benzoylhydrazinylidene)methyl]phenyl] 4-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>CED0276023</sync-id>
  <structure-inchikey>SQYLROSHXBHOSF-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000008800000000000000000000004022000000000000000040000000000000000002000020000000000000000106000000000020000000000200000000003000000040000000000000000000100800000000000a0100000000000080000000000000000000000000001000000020000800000000000000090000000000100000000000000000000000000000000000000400000084000002000000000000000000000000000000000000000000000000000000000000000400010004000000040000200000000000000000000000000001040000000000400000000000000004080000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>5010001005320e448100094001283800000004000105200000b120408204080c4c020814108000000000410800800000046002a4c08d32010024643000a04010c6110c00028006100090102000720300000405805101113240000422000049000c2005260048820000040400d5340009200280500925e0043938000002510002104400180ef0820808020250882c0008111d0812444014821004082000408080804310801090c00080000960017c27100ac000008941084010000a1008c002100000028404000022018084040405028008000000420050000d0000000800030010004010088100040000000350922000001000308442000e0000108050000206</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��� ��(��� �	 	
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� ��h��h��h���h���h�� �� ��(��� ��h���h���h���h���h������h���h���h�B����������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:29:17Z</structure-indexed-at>
</compound>
