<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4587</id>
  <title>T3D4533</title>
  <common-name>Quinoxyfen</common-name>
  <description>Quinoxyfen is a fungicide used mainly to control Erysiphe graminis - powdery mildew in cereals. It functions systemically with protective properties, translocates and inhibits appressoria development stopping infections.</description>
  <cas>124495-18-7</cas>
  <pubchem-id>3391107</pubchem-id>
  <chemical-formula>C15H8Cl2FNO</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point></boiling-point>
  <density nil="true"/>
  <solubility></solubility>
  <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>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>This is a man-made compound that is used as a pesticide.</use-source>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2014-08-29T06:51:45Z</created-at>
  <updated-at type="dateTime">2026-03-31T19:16:16Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18892</kegg-compound-id>
  <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>FC1=CC=C(OC2=CC=NC3=CC(Cl)=CC(Cl)=C23)C=C1</moldb-smiles>
  <moldb-formula>C15H8Cl2FNO</moldb-formula>
  <moldb-inchi>InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H</moldb-inchi>
  <moldb-inchikey>WRPIRSINYZBGPK-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">308.135</moldb-average-mass>
  <moldb-mono-mass type="decimal">306.996697502</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1869863</chembl-id>
  <chemspider-id>2635909</chemspider-id>
  <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></synthesis-reference>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM003493</chemdb-id>
  <dsstox-id>DTXSID2034881</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010580</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>22.12</moldb-polar-surface-area>
  <moldb-refractivity>76.04610000000001</moldb-refractivity>
  <moldb-polarizability>28.0378566384352</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>3.926379741468782</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>5.06</moldb-alogps-logp>
  <moldb-alogps-logs>-5.31</moldb-alogps-logs>
  <moldb-alogps-solubility>1.49e-03 g/l</moldb-alogps-solubility>
</compound>
