<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">300535</id>
  <title nil="true"/>
  <common-name>3-(benzotriazol-1-yl)-n-[(e)-(4-chlorophenyl)methylideneamino]propanamide</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>6888722</pubchem-id>
  <chemical-formula>C16H14ClN5O</chemical-formula>
  <weight>327.77</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">2026-08-28T17:24:39Z</created-at>
  <updated-at type="dateTime">2026-08-28T17:24:39Z</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)N=NN2CCC(=O)NN=CC3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C16H14ClN5O</moldb-formula>
  <moldb-inchi>InChI=1S/C16H14ClN5O/c17-13-7-5-12(6-8-13)11-18-20-16(23)9-10-22-15-4-2-1-3-14(15)19-21-22/h1-8,11H,9-10H2,(H,20,23)/b18-11+</moldb-inchi>
  <moldb-inchikey>PNMZCTOVLJFFIO-WOJGMQOQSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">327.0886878</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.9</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>CHEM296428</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)-(4-chlorophenyl)methylideneamino]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>CED0251804</sync-id>
  <structure-inchikey>PNMZCTOVLJFFIO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2040004400000000800000000000000000020000000000000080000000000002000040000402000000000000002000000000000400000000000000000000000000000000400000000000000000000020000000000200000004000000000000000010010080000000000080000000000000080100000000000000000000000000000000020000804000000000004080280000000100000000000000000000040000000000000000000000080000000000000000000000000000000000000000000008000000000000000000000100000010000000000000000200000001000000000200000000001048000000000400000000000000200008000000004000</structure-fingerprint>
  <structure-pattern-fingerprint>50100010091206408000090001083800000004000105200000b520400200088c4002281400801000000041081080000004200034c08c30010222647000a04000c6110c01029004100090100000620200000405905001113240000422100048000c2005260040020120040400d5540000300680710903c0063d382a2002510002084000184ef0820808020240082c0008111c0812444014820010080000400084804310000018c01082000940017c27100ac00040894108401880420028c042100040028604800233018000040605028004400102420050200d1002040800030010104810080922040000000050122002001000308042000e4000008250000006</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@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�B����������������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:10:33Z</structure-indexed-at>
</compound>
