<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3875</id>
  <title>T3D3820</title>
  <common-name>Cyprodinil</common-name>
  <description>Cyprodinil is a fungicide that acts by inhibition of germ tube elongation and hyphal mycelia. Cyprodinil is applied to the foliage of almonds, grapes, stone fruit crops, and pome fruit crops to control plant diseases.</description>
  <cas>121552-61-2</cas>
  <pubchem-id>86367</pubchem-id>
  <chemical-formula>C14H15N3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <melting-point>76°C</melting-point>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility>0.013 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">2013-04-25T07:56:50Z</created-at>
  <updated-at type="dateTime">2026-03-25T19:23:46Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C10914</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>CC1=CC(=NC(NC2=CC=CC=C2)=N1)C1CC1</moldb-smiles>
  <moldb-formula>C14H15N3</moldb-formula>
  <moldb-inchi>InChI=1S/C14H15N3/c1-10-9-13(11-7-8-11)17-14(15-10)16-12-5-3-2-4-6-12/h2-6,9,11H,7-8H2,1H3,(H,15,16,17)</moldb-inchi>
  <moldb-inchikey>HAORKNGNJCEJBX-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">225.289</moldb-average-mass>
  <moldb-mono-mass type="decimal">225.126597495</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp>4</logp>
  <hmdb-id>HMDB34853</hmdb-id>
  <chembl-id>CHEMBL521027</chembl-id>
  <chemspider-id>77885</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>CHEM002781</chemdb-id>
  <dsstox-id>DTXSID1032359</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000118</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>37.81</moldb-polar-surface-area>
  <moldb-refractivity>67.7367</moldb-refractivity>
  <moldb-polarizability>25.79011476554563</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>13.630233546093951</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>3.1008472374569296</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>3.81</moldb-alogps-logp>
  <moldb-alogps-logs>-3.37</moldb-alogps-logs>
  <moldb-alogps-solubility>9.66e-02 g/l</moldb-alogps-solubility>
</compound>
