<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3902</id>
  <title>T3D3847</title>
  <common-name>Flumioxazin</common-name>
  <description>Flumioxazin is a broad-spectrum contact herbicide. It works by interfering with the plants’ production of chlorophyll. Treated plants will respond quickly to treatment and rapidly decompose. Flumioxazin is an N-phenylphthalimide herbicide. The mode of action in this family of herbicides is believed to be inhibition of protoporphyrinogen oxidase, an enzyme important in the synthesis of chlorophyll. Mechanistic study findings suggest that porphyrins accumulate in susceptible plants causing photosensitization, which leads to membrane lipid peroxidation. The peroxidation of membrane lipids leads to irreversible damage of membrane function and structure in susceptible plants. Treatment of soil with flumioxazin will cause susceptible emerging plants to turn necrotic and die shortly after exposure to sunlight. Flumioxazin is used on soybeans, peanuts, orchard fruits and other crops. Flumioxazin is also used to controls invasive Eurasian watermilfoil (Myriophyllum spicatum) and curlyleaf pondweed (Potamogeton crispus). Flumioxazin has been used as an agricultural chemical since 2001, and was conditionally registered for aquatic use in 2010.</description>
  <cas>103361-09-7</cas>
  <pubchem-id>92425</pubchem-id>
  <chemical-formula>C19H15FN2O4</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>201 - 204°C</melting-point>
  <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>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">2013-04-25T07:56:51Z</created-at>
  <updated-at type="dateTime">2026-03-31T18:41:58Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11035</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=CC2=C(C=C1N1C(=O)C3=C(CCCC3)C1=O)N(CC#C)C(=O)CO2</moldb-smiles>
  <moldb-formula>C19H15FN2O4</moldb-formula>
  <moldb-inchi>InChI=1S/C19H15FN2O4/c1-2-7-21-15-9-14(13(20)8-16(15)26-10-17(21)23)22-18(24)11-5-3-4-6-12(11)19(22)25/h1,8-9H,3-7,10H2</moldb-inchi>
  <moldb-inchikey>FOUWCSDKDDHKQP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">354.3318</moldb-average-mass>
  <moldb-mono-mass type="decimal">354.101585183</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id>HMDB34854</hmdb-id>
  <chembl-id>CHEMBL2133606</chembl-id>
  <chemspider-id>83443</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 nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM002808</chemdb-id>
  <dsstox-id>DTXSID7032555</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010176</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>66.92</moldb-polar-surface-area>
  <moldb-refractivity>89.81929999999997</moldb-refractivity>
  <moldb-polarizability>35.258763508806965</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>1.0336608372712632</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>4</moldb-number-of-rings>
  <moldb-alogps-logp>1.49</moldb-alogps-logp>
  <moldb-alogps-logs>-3.95</moldb-alogps-logs>
  <moldb-alogps-solubility>4.00e-02 g/l</moldb-alogps-solubility>
</compound>
