<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">362289</id>
  <title nil="true"/>
  <common-name>4-chloro-n-[(e)-nitromethylideneamino]aniline</common-name>
  <description>4-chloro-n-[(e)-nitromethylideneamino]aniline is a compound with the formula C7H6ClN3O2. It has an average molecular weight of 199.59 g/mol.</description>
  <cas>52817-64-8</cas>
  <pubchem-id>9570608</pubchem-id>
  <chemical-formula>C7H6ClN3O2</chemical-formula>
  <weight>199.59</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">2026-09-01T11:27:26Z</created-at>
  <updated-at type="dateTime">2026-09-01T11:27:26Z</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>C1=CC(=CC=C1NN=C[N+](=O)[O-])Cl</moldb-smiles>
  <moldb-formula>C7H6ClN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C7H6ClN3O2/c8-6-1-3-7(4-2-6)10-9-5-11(12)13/h1-5,10H/b9-5+</moldb-inchi>
  <moldb-inchikey>QCINVSXGBZILCJ-WEVVVXLNSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">199.0148541</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.3</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <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>CHEM358182</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>4-chloro-n-[(e)-nitromethylideneamino]aniline</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Phenylhydrazines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0312365</sync-id>
  <structure-inchikey>QCINVSXGBZILCJ-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100008000000000000000000000000000000002000100000080020000000000000000000000000000000000000000000000000000000000000000000000000000000000400000000000000000000020000800000200001004000000400000000000000080000210000000000000000000000000000000000000000000000000000000020000000000000000000080000000000000000400000000000000000000000000000000000000080000000000000000000000000000000000000000000800000000000000000000000000000010000000000000000200000010000000000000000000001040000000000000000000001000000000000000000000</structure-fingerprint>
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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:59:22Z</structure-indexed-at>
</compound>
