<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">340982</id>
  <title nil="true"/>
  <common-name>[1-[(e)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate</common-name>
  <description>[1-[(e)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is a chemical compound with the formula C25H16BrClN2O3. With an average molecular weight of 507.80 g/mol, [1-[(e)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-chlorobenzoate is a heavy molecule.</description>
  <cas>767332-53-6</cas>
  <pubchem-id>45054760</pubchem-id>
  <chemical-formula>C25H16BrClN2O3</chemical-formula>
  <weight>507.8</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">2026-08-31T00:57:19Z</created-at>
  <updated-at type="dateTime">2026-08-31T00:57:19Z</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=C2C(=C1)C=CC(=C2C=NNC(=O)C3=CC=C(C=C3)Br)OC(=O)C4=CC=C(C=C4)Cl</moldb-smiles>
  <moldb-formula>C25H16BrClN2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C25H16BrClN2O3/c26-19-10-5-17(6-11-19)24(30)29-28-15-22-21-4-2-1-3-16(21)9-14-23(22)32-25(31)18-7-12-20(27)13-8-18/h1-15H,(H,29,30)/b28-15+</moldb-inchi>
  <moldb-inchikey>CEJNELISPQMFBG-RWPZCVJISA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">506.00328</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.8</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>CHEM336875</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)-[(4-bromobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0291380</sync-id>
  <structure-inchikey>CEJNELISPQMFBG-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000040000000000000100880000000000000000000000202000000020000000000000000000040000000000002000000000000000000400000000002000000000020000000000300000004800000000000000000010080000000000080000000000400080000000000000000000000000000000000020001800080000000000084000000000100000000000000000000000000000200000000040000086000002000000000000000000000008000000000000000040000000000000100004000400010004000000040000200000000000000000000000001001040000000000400000000000020000080000000000000</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���h������h�	�h���h���h�B���������������	��������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:41:03Z</structure-indexed-at>
</compound>
