<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">5597</id>
  <title nil="true"/>
  <common-name>Phosphamidon</common-name>
  <description nil="true"/>
  <cas>13171-21-6</cas>
  <pubchem-id>3032604</pubchem-id>
  <chemical-formula>C10H19ClNO5P</chemical-formula>
  <weight nil="true"/>
  <appearance nil="true"/>
  <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 nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2016-05-19T01:47:03Z</created-at>
  <updated-at type="dateTime">2026-03-26T19:34:49Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <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>CCN(CC)C(=O)C(\Cl)=C(/C)OP(=O)(OC)OC</moldb-smiles>
  <moldb-formula>C10H19ClNO5P</moldb-formula>
  <moldb-inchi>InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8-</moldb-inchi>
  <moldb-inchikey>RGCLLPNLLBQHPF-HJWRWDBZSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">299.69</moldb-average-mass>
  <moldb-mono-mass type="decimal">299.0689374</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>2297538</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>CHEM004492</chemdb-id>
  <dsstox-id>DTXSID601030915</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00001323</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>65.07000000000001</moldb-polar-surface-area>
  <moldb-refractivity>70.8298</moldb-refractivity>
  <moldb-polarizability>27.560166048231412</moldb-polarizability>
  <moldb-rotatable-bond-count>7</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>-1.1352825090849925</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>1.39</moldb-alogps-logp>
  <moldb-alogps-logs>-1.77</moldb-alogps-logs>
  <moldb-alogps-solubility>5.07e+00 g/l</moldb-alogps-solubility>
</compound>
