<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">124330</id>
  <title nil="true"/>
  <common-name>2-Pyrazinyl-4-methoxyphenylketone</common-name>
  <description>2-Pyrazinyl-4-methoxyphenylketone belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the formula C12H10N2O2 and an average molecular weight of 214.22 g/mol.</description>
  <cas>86461-74-7</cas>
  <pubchem-id>584772</pubchem-id>
  <chemical-formula>C12H10N2O2</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">2026-04-06T08:05:11Z</created-at>
  <updated-at type="dateTime">2026-04-06T08:05:11Z</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>COC1=CC=C(C=C1)C(=O)C1=NC=CN=C1</moldb-smiles>
  <moldb-formula>C12H10N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C12H10N2O2/c1-16-10-4-2-9(3-5-10)12(15)11-8-13-6-7-14-11/h2-8H,1H3</moldb-inchi>
  <moldb-inchikey>WVSCPUBHPXOQBV-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">214.224</moldb-average-mass>
  <moldb-mono-mass type="decimal">214.0742276</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>508292</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>CHEM120223</chemdb-id>
  <dsstox-id>DTXSID10342822</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00113897</susdat-id>
  <iupac nil="true"/>
  <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>Organic oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer">0</paper-count>
  <sync-id>CED0152232</sync-id>
  <structure-inchikey>WVSCPUBHPXOQBV-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000000000000000000000000000000000000000000000000000000000000000000000000200000000000002000000000000000000000000000000000000000000080000000000000000000000020000000000100000200000000000000040000010000010040010000000000000000000000000000000000000000000000000040010000000000000400000000000008000000000000000000000000000000000000000000000000084000000000000000080000000000000000000180000000000020081000000000000000000000004000000000000200000100008000000000000000002040000000000400000000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAQAAAAEQAAAIABBgBgAAAAAQMIACgAAAAD
AgZAKAAAAAMEBkBoAAAAAwMBBkBoAAAAAwMBBkAoAAAAAwQGQGgAAAADAwEG
QGgAAAADAwEGACgAAAADBAgAKAAAAAMCBkAoAAAAAwQHQCgAAAADAwZAaAAA
AAMDAQZAaAAAAAMDAQdAKAAAAAMDBkBoAAAAAwMBCwABAAECIAIDaAwDBGgM
BAVoDAUGaAwGB2gMBQggCAkoAggKIAoLaAwLDGgMDA1oDA0OaAwOD2gMBwJo
DA8KaAxCAgAAAAYCBwYFBAMGCwwNDg8KFwQAAAAAAAAAFg==
</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:47:16Z</structure-indexed-at>
</compound>
