<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">306102</id>
  <title nil="true"/>
  <common-name>Ethyl 2-[4-(3-oxo-1,2-benzoselenazol-2-yl)phenyl]acetate</common-name>
  <description>Ethyl 2-[4-(3-oxo-1,2-benzoselenazol-2-yl)phenyl]acetate belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C17H15NO3Se and an average molecular weight of 360.30 g/mol.</description>
  <cas>81743-96-6</cas>
  <pubchem-id>3067573</pubchem-id>
  <chemical-formula>C17H15NO3Se</chemical-formula>
  <weight>360.3</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">2026-08-28T23:49:57Z</created-at>
  <updated-at type="dateTime">2026-08-28T23:49:57Z</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>CCOC(=O)CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2</moldb-smiles>
  <moldb-formula>C17H15NO3Se</moldb-formula>
  <moldb-inchi>InChI=1S/C17H15NO3Se/c1-2-21-16(19)11-12-7-9-13(10-8-12)18-17(20)14-5-3-4-6-15(14)22-18/h3-10H,2,11H2,1H3</moldb-inchi>
  <moldb-inchikey>CAWNUDSMGPCJJA-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">361.02172</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM301995</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>Ethyl 2-[4-(3-oxo-1,2-benzoselenazol-2-yl)phenyl]acetate</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 nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0257173</sync-id>
  <structure-inchikey>CAWNUDSMGPCJJA-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>2000000000000200000800000000000000010804000000000000000004000000000000002000220040000000000000000000000000000000000000000000080000000000000000000000000000000000020000000000100010000000100000000000000010000000000000000000000000040400100000000000000000100000000000040004000800000000000000000000000000100000000020000000000000000000000200000040000082000000000000000000000000000000000000000000000040000010000000000004000000000000000002000000220000000000000000040000001000040000000000400000000000000000000000000004000</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�	
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	������������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:14:43Z</structure-indexed-at>
</compound>
