<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">302335</id>
  <title nil="true"/>
  <common-name>6-(3-chlorophenyl)imino-5,5-dipropyl-1,3-diazinane-2,4-dione</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>135463952</pubchem-id>
  <chemical-formula>C16H20ClN3O2</chemical-formula>
  <weight>321.8</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">2026-08-28T19:23:50Z</created-at>
  <updated-at type="dateTime">2026-08-28T19:23:50Z</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>CCCC1(C(=NC2=CC(=CC=C2)Cl)NC(=O)NC1=O)CCC</moldb-smiles>
  <moldb-formula>C16H20ClN3O2</moldb-formula>
  <moldb-inchi>InChI=1S/C16H20ClN3O2/c1-3-8-16(9-4-2)13(19-15(22)20-14(16)21)18-12-7-5-6-11(17)10-12/h5-7,10H,3-4,8-9H2,1-2H3,(H2,18,19,20,21,22)</moldb-inchi>
  <moldb-inchikey>VKUMEPIVBIVKIL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">321.1244046</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4</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>CHEM298228</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)imino-5,5-dipropyl-1,3-diazinane-2,4-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>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Aniline and substituted anilines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0253553</sync-id>
  <structure-inchikey>VKUMEPIVBIVKIL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>800000000000000000000400000000000080800000000000000002000020040000000000000000000000000000000000000000000000000000000000400000008000000000000020000000008000004004000000000000000030000000000000000000100000000000000000000000000000000000000001000048000002800000200000000000000000000000000000000000001000000800000000000000020000080000000020000000080080000000000000000000000000000000000000000000000000000010008000000000040200000048000400000000000002000040000000000000000000000002000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������� ������(�������(������@(������@h�������@(������@h�������@h�������@h�������� ������h��������(�������(�������h��������(�������(�������`�������`�������`��������������������(��� ��h���h��	h�	
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������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T03:34:12Z</structure-indexed-at>
</compound>
