<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3921</id>
  <title>T3D3866</title>
  <common-name>Iprodione</common-name>
  <description>Iprodione is a hydantoin fungicide. It is used on crops affected by Botrytis bunch rot, Brown rot, Sclerotinia and other fungal diseases in plants. It is currently applied in a variety of crops: fruit, vegetables, ornamental trees and scrubs and on lawns. It is a contact fungicide that inhibits the germination of fungal spores and it blocks the growth of the fungal mycelium.</description>
  <cas>36734-19-7</cas>
  <pubchem-id>37517</pubchem-id>
  <chemical-formula>C13H13Cl2N3O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>136°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>0.0139 mg/mL at 25°C</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">2013-04-25T07:56:52Z</created-at>
  <updated-at type="dateTime">2026-03-26T18:33:41Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C11208</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>28909</chebi-id>
  <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>CC(C)NC(=O)N1CC(=O)N(C1=O)C1=CC(Cl)=CC(Cl)=C1</moldb-smiles>
  <moldb-formula>C13H13Cl2N3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C13H13Cl2N3O3/c1-7(2)16-12(20)17-6-11(19)18(13(17)21)10-4-8(14)3-9(15)5-10/h3-5,7H,6H2,1-2H3,(H,16,20)</moldb-inchi>
  <moldb-inchikey>ONUFESLQCSAYKA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">330.167</moldb-average-mass>
  <moldb-mono-mass type="decimal">329.033396711</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>3</logp>
  <hmdb-id>HMDB31795</hmdb-id>
  <chembl-id>CHEMBL1862887</chembl-id>
  <chemspider-id>34418</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>CHEM002827</chemdb-id>
  <dsstox-id>DTXSID3024154</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000494</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>69.72</moldb-polar-surface-area>
  <moldb-refractivity>77.63669999999999</moldb-refractivity>
  <moldb-polarizability>31.405226628718655</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>10.713637870689327</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-5.918818990286171</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>2.23</moldb-alogps-logp>
  <moldb-alogps-logs>-3.73</moldb-alogps-logs>
  <moldb-alogps-solubility>6.20e-02 g/l</moldb-alogps-solubility>
</compound>
