<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">282675</id>
  <title nil="true"/>
  <common-name>6-(3-chlorophenyl)-6h-[1,3]oxazolo[3,2-a][1,3,5]triazine-4,7-dione</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>118249</pubchem-id>
  <chemical-formula>C11H6ClN3O3</chemical-formula>
  <weight>263.63</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">2026-08-27T18:11:19Z</created-at>
  <updated-at type="dateTime">2026-08-27T18:11:19Z</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(=C1)Cl)C2C(=O)OC3=NC=NC(=O)N23</moldb-smiles>
  <moldb-formula>C11H6ClN3O3</moldb-formula>
  <moldb-inchi>InChI=1S/C11H6ClN3O3/c12-7-3-1-2-6(4-7)8-9(16)18-11-14-5-13-10(17)15(8)11/h1-5,8H</moldb-inchi>
  <moldb-inchikey>LXGWXVMHVCIPCY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">263.0097688</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>1.8</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>CHEM278568</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>6-(3-chlorophenyl)-6h-[1,3]oxazolo[3,2-a][1,3,5]triazine-4,7-dione</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>Organic acids and derivatives</superklass>
  <klass>Carboxylic acids and derivatives</klass>
  <subklass>Amino acids, peptides, and analogues</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0234614</sync-id>
  <structure-inchikey>LXGWXVMHVCIPCY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>8000000000000400000000000080000000000000000000000020000000000100002000000040000000000000010000400000000000000000400000008000000000000020800000000000000000000000000000000000000004000000000020100000000040000104000400000000000000100001000000000000800000000000040000000000000000000000000000000801000000000000000000000000080000000000100000080000008000000000000000000000000000000000000000000001000010000000000000000200000000000000200000000000000040010000000000000200000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€��@h�������@h�������@(������@h�������@(������@h�������� ������`�������(�������(�������(������@(������@(������@h�������@(������@(�������(������@(��������h���h���h���h���h�����������	(��
 
� ��h��h��h���h���(���h���h������h�B����������������
����������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T04:57:25Z</structure-indexed-at>
</compound>
