<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">3853</id>
  <title>T3D3798</title>
  <common-name>Bifenazate</common-name>
  <description>Bifenazate is a pesticide use for control of mite pests on greenhouse, shadehouse, nursery, field, landscape and interiorscape grown ornamental plants. Bifenazate possesses low acute toxicity by all routes of exposure (Category IV) with no evidence of dermal sensitization potential. It is non-irritating to skin and minimally irritating to eyes. Bifenazate is negative for mutagenic potential in a battery of required mutagenicity studies.</description>
  <cas>149877-41-8</cas>
  <pubchem-id>176879</pubchem-id>
  <chemical-formula>C17H20N2O3</chemical-formula>
  <weight nil="true"/>
  <appearance>White powder.</appearance>
  <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>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">2026-03-31T19:16:51Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id>C18589</kegg-compound-id>
  <omim-id nil="true"/>
  <chebi-id>38660</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>COC1=C(NNC(=O)OC(C)C)C=C(C=C1)C1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C17H20N2O3</moldb-formula>
  <moldb-inchi>InChI=1S/C17H20N2O3/c1-12(2)22-17(20)19-18-15-11-14(9-10-16(15)21-3)13-7-5-4-6-8-13/h4-12,18H,1-3H3,(H,19,20)</moldb-inchi>
  <moldb-inchikey>VHLKTXFWDRXILV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">300.3523</moldb-average-mass>
  <moldb-mono-mass type="decimal">300.147392516</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id>CHEMBL1872845</chembl-id>
  <chemspider-id>154052</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>CHEM002759</chemdb-id>
  <dsstox-id>DTXSID5032525</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00010595</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>59.59</moldb-polar-surface-area>
  <moldb-refractivity>86.53690000000003</moldb-refractivity>
  <moldb-polarizability>32.87059274561301</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>3</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>13.694663609632869</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-4.148601286501525</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>2</moldb-number-of-rings>
  <moldb-alogps-logp>3.31</moldb-alogps-logp>
  <moldb-alogps-logs>-4.28</moldb-alogps-logs>
  <moldb-alogps-solubility>1.57e-02 g/l</moldb-alogps-solubility>
</compound>
