<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">345932</id>
  <title nil="true"/>
  <common-name>[1-[(e)-[(2-chlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate</common-name>
  <description>[1-[(e)-[(2-chlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate is a chemical compound with the formula C27H21ClN2O4. It has an average molecular weight of 472.90 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>51060247</pubchem-id>
  <chemical-formula>C27H21ClN2O4</chemical-formula>
  <weight>472.9</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">2026-08-31T09:04:03Z</created-at>
  <updated-at type="dateTime">2026-08-31T09:04:03Z</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>CCOC1=CC=C(C=C1)C(=O)OC2=C(C3=CC=CC=C3C=C2)C=NNC(=O)C4=CC=CC=C4Cl</moldb-smiles>
  <moldb-formula>C27H21ClN2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C27H21ClN2O4/c1-2-33-20-14-11-19(12-15-20)27(32)34-25-16-13-18-7-3-4-8-21(18)23(25)17-29-30-26(31)22-9-5-6-10-24(22)28/h3-17H,2H2,1H3,(H,30,31)/b29-17+</moldb-inchi>
  <moldb-inchikey>HNKJVUUQHFSFOR-STBIYBPSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">472.1189848</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.5</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>CHEM341825</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>[1-[(e)-[(2-chlorobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate</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>Naphthalenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0296286</sync-id>
  <structure-inchikey>HNKJVUUQHFSFOR-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400800202000000000040000000000000100800000400000000000002000202200000020002000000000000000040000000000002000000000000000000400000000002000000000020000000000300000204000000000000000000010000000000400080000000000000080000000000020000000000000000000040000001800080000000000080000000000100000000020000000000000000000200000000040040086000000000000001080000000000008000000000000000040000000000000000000000000010004000000040000200000000000000000008000001001040000000000400000000000020000180000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAiAAAAJQAAAIABBgBgAAAAAQMGAGAAAAAC
AggAKAAAAAMCBkAoAAAAAwQGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBAZA
aAAAAAMDAQZAaAAAAAMDAQYAKAAAAAMECAAoAAAAAwIIACgAAAADAgZAKAAA
AAMEBkAoAAAAAwQGQCgAAAADBAZAaAAAAAMDAQZAaAAAAAMDAQZAaAAAAAMD
AQZAaAAAAAMDAQZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBgBoAAAAAwMB
BwAoAAAAAwMHAGgAAAADAgEGACgAAAADBAgAKAAAAAMCBkAoAAAAAwQGQGgA
AAADAwEGQGgAAAADAwEGQGgAAAADAwEGQGgAAAADAwEGQCgAAAADBBEAIAAA
AAELAAEAAQIAAgMgAwRoDAQFaAwFBmgMBgdoDAcIaAwGCSAJCigCCQsgCwwg
DA1oDA0OaAwOD2gMDxBoDBARaAwREmgMEhNoDBMUaAwUFWgMDRYgFhcoAhcY
IBgZIBkaKAIZGyAbHGgMHB1oDB0eaAweH2gMHyBoDCAhAAgDaAwVDGgMEw5o
DCAbaAxCBAAAAAYDCAcGBQQGDxAREhMOBhQVDA0OEwYcHR4fIBsXBAAAAAAA
AAAW
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:44:49Z</structure-indexed-at>
</compound>
