<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">1090</id>
  <title>T3D1086</title>
  <common-name>Amidochlor</common-name>
  <description>Widely used selective herbicides worldwide in corn, soybean and other crop cultures. Elevated concentrations of these herbicides and their degradation products have been detected in surface and groundwater. (A252)</description>
  <cas>40164-67-8</cas>
  <pubchem-id>38407</pubchem-id>
  <chemical-formula>C15H21ClN2O2</chemical-formula>
  <weight>296.129160</weight>
  <appearance>White powder.</appearance>
  <melting-point></melting-point>
  <boiling-point nil="true"/>
  <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>Binds to nAChRs in nervous systems. It also causes endocrine disruption in humans by binding to and inhibiting the estrogen receptor. (T10, A590)</mechanism-of-toxicity>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source>Amidochlor is used as a herbicide. (A252)</use-source>
  <min-risk-level nil="true"/>
  <health-effects>Amidochlor is neurotoxic. (T10)</health-effects>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2009-06-18T21:54:33Z</created-at>
  <updated-at type="dateTime">2026-04-06T12:53:43Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id nil="true"/>
  <stitch-id>Amidochlor</stitch-id>
  <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>CCC1=CC=CC(CC)=C1N(CNC(C)=O)C(=O)CCl</moldb-smiles>
  <moldb-formula>C15H21ClN2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C15H21ClN2O2/c1-4-12-7-6-8-13(5-2)15(12)18(14(20)9-16)10-17-11(3)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,19)</moldb-inchi>
  <moldb-inchikey>QTGVGIVRLSGTJJ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">296.792</moldb-average-mass>
  <moldb-mono-mass type="decimal">296.129155633</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>35202</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>CHEM000928</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00124804</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>49.410000000000004</moldb-polar-surface-area>
  <moldb-refractivity>80.27759999999999</moldb-refractivity>
  <moldb-polarizability>31.251757264070466</moldb-polarizability>
  <moldb-rotatable-bond-count>6</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>12.838035188769226</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-1.8301817718203748</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>2.18</moldb-alogps-logp>
  <moldb-alogps-logs>-3.87</moldb-alogps-logs>
  <moldb-alogps-solubility>4.02e-02 g/l</moldb-alogps-solubility>
</compound>
