<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">310372</id>
  <title nil="true"/>
  <common-name>1-[3-[(2,4-dichlorophenyl)methyl]-3-phenyloxiran-2-yl]imidazole</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>3061549</pubchem-id>
  <chemical-formula>C18H14Cl2N2O</chemical-formula>
  <weight>345.2</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">2026-08-29T05:35:50Z</created-at>
  <updated-at type="dateTime">2026-08-29T05:35:50Z</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=C(C=C1)C2(C(O2)N3C=CN=C3)CC4=C(C=C(C=C4)Cl)Cl</moldb-smiles>
  <moldb-formula>C18H14Cl2N2O</moldb-formula>
  <moldb-inchi>InChI=1S/C18H14Cl2N2O/c19-15-7-6-13(16(20)10-15)11-18(14-4-2-1-3-5-14)17(23-18)22-9-8-21-12-22/h1-10,12,17H,11H2</moldb-inchi>
  <moldb-inchikey>NQCPBYSBYHWQCB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">344.0483185</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM306265</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-[3-[(2,4-dichlorophenyl)methyl]-3-phenyloxiran-2-yl]imidazole</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>Phenylpropanoids and polyketides</superklass>
  <klass>Stilbenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0261351</sync-id>
  <structure-inchikey>NQCPBYSBYHWQCB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>200000000000000800000000020000000000400000400000080000000000000000000000000000000000002002004000000000000000000000000000000000000000008400000000000000000000000800000000000000000000000000008000000000081000010000000101040000000000900000004200004000000100000000008020000800400000000000000000000000100400000000000000000000000400000000104000000080000000000000000000000000000000000000000000000000000001000000000000200000010000000000002040200000000000001000000000000002040000000000000002000000000000000000000000000</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�����������	�	
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	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:17:49Z</structure-indexed-at>
</compound>
