<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">287159</id>
  <title nil="true"/>
  <common-name>N-(3-oxo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-9-yl)acetamide</common-name>
  <description>N-(3-oxo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-9-yl)acetamide belongs to the indanes, a class of benzenoids within the organic compounds. This compound has the chemical formula C13H13N3O2 and an average molecular weight of 243.26 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3087508</pubchem-id>
  <chemical-formula>C13H13N3O2</chemical-formula>
  <weight>243.26</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">2026-08-27T23:31:09Z</created-at>
  <updated-at type="dateTime">2026-08-27T23:31:09Z</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>CC(=O)NC1=CC=CC2=C1C3=NNC(=O)CC3C2</moldb-smiles>
  <moldb-formula>C13H13N3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C13H13N3O2/c1-7(17)14-10-4-2-3-8-5-9-6-11(18)15-16-13(9)12(8)10/h2-4,9H,5-6H2,1H3,(H,14,17)(H,15,18)</moldb-inchi>
  <moldb-inchikey>AJMXEJBCWOZEJY-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">243.1007767</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>0.2</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>CHEM283052</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>N-(3-oxo-2,4,4a,5-tetrahydroindeno[1,2-c]pyridazin-9-yl)acetamide</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>Indanes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0238944</sync-id>
  <structure-inchikey>AJMXEJBCWOZEJY-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>20010004000000000000000020000000000000002000000000000000000000000000000000080000000000000000000000000000000020800000000000000000800000000000000000010000000000400000000100010000028000080000000000000004500011000040000000800000200000000080000000000000000080080000000000000000000000000000000000080000000000000000000000000000000000000000000000014000000000000000000000000000008008000000001200000000000200008000000040000040000000100400000000000000000000800000000000</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�	
 
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  <structure-indexed-at type="dateTime">2026-09-19T05:00:37Z</structure-indexed-at>
</compound>
