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<compound>
  <id type="integer">19692</id>
  <title nil="true"/>
  <common-name>Nitromide</common-name>
  <description>Nitromide is an organic compound with the chemical formula C7H5N3O5 and an average molecular weight of 211.13 g/mol. Nitromide belongs to the nitrobenzenes, a subclass of benzene and substituted derivatives within the organic compounds.

This compound is associated with four recorded sources of occurrence or release. These include electrical and electronic equipment, specifically amplifiers and electrodes, as well as food preservation within food, food processing, and cookware. Additionally, it is found in household cleaning and consumer products, specifically tobacco smoke filters.</description>
  <cas>121-81-3</cas>
  <pubchem-id>4511</pubchem-id>
  <chemical-formula>C7H5N3O5</chemical-formula>
  <weight>211.13</weight>
  <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">2016-05-22T05:21:55Z</created-at>
  <updated-at type="dateTime">2026-08-24T03:27:39Z</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>OC(=N)C1=CC(=CC(=C1)N(=O)=O)N(=O)=O</moldb-smiles>
  <moldb-formula>C7H5N3O5</moldb-formula>
  <moldb-inchi>InChI=1S/C7H5N3O5/c8-7(11)4-1-5(9(12)13)3-6(2-4)10(14)15/h1-3H,(H2,8,11)</moldb-inchi>
  <moldb-inchikey>UUKWKUSGGZNXGA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">211.133</moldb-average-mass>
  <moldb-mono-mass type="decimal">211.022920273</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.8</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>4355</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>CHEM018587</chemdb-id>
  <dsstox-id>DTXSID0045836</dsstox-id>
  <toxcast-id>45836</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00023977</susdat-id>
  <iupac>3,5-dinitrobenzamide</iupac>
  <moldb-polar-surface-area>135.71999999999997</moldb-polar-surface-area>
  <moldb-refractivity>60.7224</moldb-refractivity>
  <moldb-polarizability>17.35997388201967</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>6</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>5.962157589491299</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>4.339343582366854</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>1</moldb-number-of-rings>
  <moldb-alogps-logp>0.58</moldb-alogps-logp>
  <moldb-alogps-logs>-3.33</moldb-alogps-logs>
  <moldb-alogps-solubility>9.79e-02 g/l</moldb-alogps-solubility>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Nitrobenzenes</subklass>
  <paper-count type="integer">10</paper-count>
  <sync-id>CED0035859</sync-id>
  <structure-inchikey>UUKWKUSGGZNXGA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000004000000000000000000000021000000000000000000000000000000000100000020000000000000001000000000400000000000010000000200000000100000000000000000000000000000000000000000000000000000000080000000000000000000001000000000000000000020000000000000000000000000084800000000000000000000000000000200000040000000000000000000000000000000000000000000000000000000000000000000400000000000000040000000000000000000001000000000000000000000</structure-fingerprint>
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  <structure-indexed-at type="dateTime">2026-09-19T04:07:44Z</structure-indexed-at>
</compound>
