<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <version>2.0</version>
  <creation_date>2015-09-08 17:49:10 -0600</creation_date>
  <update_date>2016-09-13 16:35:36 -0600</update_date>
  <accession>ECMDB24084</accession>
  <m2m_id>M2MDB006201</m2m_id>
  <name>Etiocholanedione</name>
  <description/>
  <synonyms>
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  <chemical_formula/>
  <average_molecular_weight/>
  <monisotopic_moleculate_weight/>
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  <cas_registry_number/>
  <smiles/>
  <inchi/>
  <inchikey/>
  <state/>
  <cellular_locations>
  </cellular_locations>
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      <value>3.40</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>logs</kind>
      <value>-4.59</value>
      <source>ALOGPS</source>
    </property>
    <property>
      <kind>solubility</kind>
      <value>7.39e-03 g/l</value>
      <source>ALOGPS</source>
    </property>
  </predicted_properties>
  <experimental_properties>
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    <source>ChemAxon</source>
  </property>
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    <kind>pka_strongest_acidic</kind>
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    <kind>pka_strongest_basic</kind>
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    <kind>iupac</kind>
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  </property>
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    <source>ChemAxon</source>
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    <kind>refractivity</kind>
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    <source>ChemAxon</source>
  </property>
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    <kind>polarizability</kind>
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    <source>ChemAxon</source>
  </property>
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    <kind>rotatable_bond_count</kind>
    <value>0</value>
    <source>ChemAxon</source>
  </property>
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    <kind>acceptor_count</kind>
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    <source>ChemAxon</source>
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    <kind>donor_count</kind>
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    <source>ChemAxon</source>
  </property>
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    <kind>physiological_charge</kind>
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    <source>ChemAxon</source>
  </property>
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    <kind>formal_charge</kind>
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    <source>ChemAxon</source>
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  <het_id/>
  <wikipidia/>
  <foodb_id/>
  <general_references>
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  <synthesis_reference/>
  <msds_url/>
  <enzymes>
  </enzymes>
  <transporters>
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  <reactions>
  </reactions>
  <concentrations>
  </concentrations>
</compound>
