<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">306358</id>
  <title nil="true"/>
  <common-name>2-[(4-methylphenyl)diazenyl]-1-phenylbutane-1,3-dione</common-name>
  <description>2-[(4-methylphenyl)diazenyl]-1-phenylbutane-1,3-dione belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This organic oxygen compound has the chemical formula C17H16N2O2 and an average molecular weight of 280.32 g/mol.</description>
  <cas>4365-81-5</cas>
  <pubchem-id>20380</pubchem-id>
  <chemical-formula>C17H16N2O2</chemical-formula>
  <weight>280.32</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">2026-08-29T00:08:44Z</created-at>
  <updated-at type="dateTime">2026-08-29T00:08:44Z</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>CC1=CC=C(C=C1)N=NC(C(=O)C)C(=O)C2=CC=CC=C2</moldb-smiles>
  <moldb-formula>C17H16N2O2</moldb-formula>
  <moldb-inchi>InChI=1S/C17H16N2O2/c1-12-8-10-15(11-9-12)18-19-16(13(2)20)17(21)14-6-4-3-5-7-14/h3-11,16H,1-2H3</moldb-inchi>
  <moldb-inchikey>PCDPOPUECJDSLB-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">280.1211778</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.9</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>CHEM302251</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>2-[(4-methylphenyl)diazenyl]-1-phenylbutane-1,3-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 oxygen compounds</superklass>
  <klass>Organooxygen compounds</klass>
  <subklass>Carbonyl compounds</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0257416</sync-id>
  <structure-inchikey>PCDPOPUECJDSLB-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000004000000000000000000004000000000000000200000001000000000000000000000000000000000000024001000000000000000000000000000000000000000000000000000000000000020000000000000000004080000000000000000010000000000000000000000000000001000000000000000000000400000000040000000800000000000000000000000000100000000000000000040000000000100000000000000084000000000000000000000000000000000000000000000000100000000000100000000000000000200002000000200000000000000000100000002000040800000000480000000000000004000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>501000200902064080000904010820000000040003052000003100400200000c4002001000800000000041080080000004200024408c30010020643000a04000c6110c00020004004090100000620200000405805001113240040422000248000c200406004002002000040054140000200480500121c4045118000002510002004000080cf0820808020240082c0008111c0812444014820000080000400080004310000810c00000000840017c25104ac00202894108401000020008c002100000008404400002018002000445028000000000020050000d0000000840020010000810000100000040000040122000001000308042002e0008020052000402</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������@(������@h�������@h�������@(������@h�������@h��������(�������(�������`�������(�������(�������`�������(�������(������@(������@h�������@h�������@h�������@h�������@h������������h���h���h���h���h��� ��(��	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:14:53Z</structure-indexed-at>
</compound>
