<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">335193</id>
  <title nil="true"/>
  <common-name>2-benzyl-1-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)guanidine</common-name>
  <description>2-benzyl-1-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)guanidine is a chemical compound with the formula C23H22ClN3O. It has an average molecular weight of 391.90 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>50526</pubchem-id>
  <chemical-formula>C23H22ClN3O</chemical-formula>
  <weight>391.9</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">2026-08-30T17:15:00Z</created-at>
  <updated-at type="dateTime">2026-08-30T17:15:00Z</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>C=CCOC1=CC=C(C=C1)NC(=NCC2=CC=CC=C2)NC3=CC=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C23H22ClN3O</moldb-formula>
  <moldb-inchi>InChI=1S/C23H22ClN3O/c1-2-16-28-22-14-12-21(13-15-22)27-23(25-17-18-6-4-3-5-7-18)26-20-10-8-19(24)9-11-20/h2-15H,1,16-17H2,(H2,25,26,27)</moldb-inchi>
  <moldb-inchikey>HSKUXTFVHGBKPC-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">391.14514</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.5</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>CHEM331086</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>2-benzyl-1-(4-chlorophenyl)-3-(4-prop-2-enoxyphenyl)guanidine</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>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0285668</sync-id>
  <structure-inchikey>HSKUXTFVHGBKPC-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800002000000000000000000000100000080000000000000000000000000200000000000080004000000000000000000000000000000000008000000400000000000000001000000000000000300000204000000000000000000010080000010000000000000000000001008000000000000000000000000000000220400800000000000000080800000000100000000000000000000000000000000000000000200080000000000000000080000000000000000000010000000000000000000000000040020000010200000000000008220000000000000008000000000000040004008000000000000100000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAcAAAAHgAAAIABBgBoAAAAAwICBgBoAAAA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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:36:54Z</structure-indexed-at>
</compound>
