<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">305760</id>
  <title nil="true"/>
  <common-name>3-(benzotriazol-1-yl)-n-[(e)-1-(3,4-dichlorophenyl)ethylideneamino]propanamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>9619647</pubchem-id>
  <chemical-formula>C17H15Cl2N5O</chemical-formula>
  <weight>376.2</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">2026-08-28T23:23:26Z</created-at>
  <updated-at type="dateTime">2026-08-28T23:23:26Z</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>CC(=NNC(=O)CCN1C2=CC=CC=C2N=N1)C3=CC(=C(C=C3)Cl)Cl</moldb-smiles>
  <moldb-formula>C17H15Cl2N5O</moldb-formula>
  <moldb-inchi>InChI=1S/C17H15Cl2N5O/c1-11(12-6-7-13(18)14(19)10-12)20-22-17(25)8-9-24-16-5-3-2-4-15(16)21-23-24/h2-7,10H,8-9H2,1H3,(H,22,25)/b20-11+</moldb-inchi>
  <moldb-inchikey>JPONFSCRTSXJIY-RGVLZGJSSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">375.0653655</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.8</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>CHEM301653</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-(benzotriazol-1-yl)-n-[(e)-1-(3,4-dichlorophenyl)ethylideneamino]propanamide</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>Organoheterocyclic compounds</superklass>
  <klass>Benzotriazoles</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0256843</sync-id>
  <structure-inchikey>JPONFSCRTSXJIY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000004400000000800000000000000000020000000000000000000000000000000040000002000000100002002000000000000400000000000000000000000000000000400000000000000000000020002000000008000004000000000000000010010000000001000000100000000000000108000000000000040000400000000040000000804000000000004080280000000100000000000100000000040000000000000000000000084000200000000000000000000000000000000000002008000000000000000000000100000010004000000000000210000001000000000200000000000040000000000400000000000000200008000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������(�������(�������h��������(�������(�������`�������`������@(������@(������@h�������@h�������@h�������@h�������@(������@(������@(������@(������@h�������@(������@(������@h�������@h�������� ������ ����������(��� �� ��(�����������	h�	
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���	���	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:14:28Z</structure-indexed-at>
</compound>
