<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">4707</id>
  <title>T3D4653</title>
  <common-name>Phosgene oxime</common-name>
  <description>Phosgene oxime, or CX, is an organic compound with the formula Cl2CNOH. It is a potent chemical weapon, specifically a nettle agent. The compound itself is a colorless solid, but impure samples are often yellowish liquids. It has a strong, disagreeable odor and a violently irritating vapor.</description>
  <cas>1794-86-1</cas>
  <pubchem-id>65582</pubchem-id>
  <chemical-formula>CHCl2NO</chemical-formula>
  <weight nil="true"/>
  <appearance>White crystalline solid or yellowish-brown liquid. Unpleasant odor.</appearance>
  <melting-point>40°C</melting-point>
  <boiling-point>129°C</boiling-point>
  <density nil="true"/>
  <solubility>70%</solubility>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure></route-of-exposure>
  <target nil="true"/>
  <mechanism-of-toxicity></mechanism-of-toxicity>
  <metabolism></metabolism>
  <toxicity></toxicity>
  <lethaldose></lethaldose>
  <carcinogenicity>No indication of carcinogenicity to humans (not listed by IARC).</carcinogenicity>
  <use-source></use-source>
  <min-risk-level></min-risk-level>
  <health-effects></health-effects>
  <symptoms></symptoms>
  <treatment></treatment>
  <created-at type="dateTime">2014-09-08T02:41:08Z</created-at>
  <updated-at type="dateTime">2016-11-09T01:09:10Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia>http://en.wikipedia.org/wiki/Phosgene_oxime</wikipedia>
  <uniprot-id></uniprot-id>
  <kegg-compound-id></kegg-compound-id>
  <omim-id></omim-id>
  <chebi-id></chebi-id>
  <biocyc-id></biocyc-id>
  <ctd-id></ctd-id>
  <stitch-id></stitch-id>
  <drugbank-id></drugbank-id>
  <pdb-id></pdb-id>
  <actor-id></actor-id>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>[H]ON=C(Cl)Cl</moldb-smiles>
  <moldb-formula>CHCl2NO</moldb-formula>
  <moldb-inchi>InChI=1S/CHCl2NO/c2-1(3)4-5/h5H</moldb-inchi>
  <moldb-inchikey>JIRJHEXNDQBKRZ-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">113.931</moldb-average-mass>
  <moldb-mono-mass type="decimal">112.943519073</moldb-mono-mass>
  <origin>Exogenous</origin>
  <state>Solid</state>
  <logp></logp>
  <hmdb-id></hmdb-id>
  <chembl-id></chembl-id>
  <chemspider-id>59024</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>CHEM003611</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac nil="true"/>
  <moldb-polar-surface-area>32.59</moldb-polar-surface-area>
  <moldb-refractivity>21.036900000000003</moldb-refractivity>
  <moldb-polarizability>7.9285968526946995</moldb-polarizability>
  <moldb-rotatable-bond-count>0</moldb-rotatable-bond-count>
  <moldb-acceptor-count>2</moldb-acceptor-count>
  <moldb-donor-count>1</moldb-donor-count>
  <moldb-pka-strongest-acidic>6.622302221637566</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-4.155063319497467</moldb-pka-strongest-basic>
  <moldb-physiological-charge>-1</moldb-physiological-charge>
  <moldb-number-of-rings>0</moldb-number-of-rings>
  <moldb-alogps-logp>0.80</moldb-alogps-logp>
  <moldb-alogps-logs>-1.27</moldb-alogps-logs>
  <moldb-alogps-solubility>6.17e+00 g/l</moldb-alogps-solubility>
</compound>
