<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">292086</id>
  <title nil="true"/>
  <common-name>[(z)-[5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>6914424</pubchem-id>
  <chemical-formula>C14H17ClN2O5S</chemical-formula>
  <weight>360.8</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">2026-08-28T07:21:42Z</created-at>
  <updated-at type="dateTime">2026-08-28T07:21:42Z</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(C)(C)C(=O)N1CCC(=NOS(=O)(=O)O)C2=C1C=CC=C2Cl</moldb-smiles>
  <moldb-formula>C14H17ClN2O5S</moldb-formula>
  <moldb-inchi>InChI=1S/C14H17ClN2O5S/c1-14(2,3)13(18)17-8-7-10(16-22-23(19,20)21)12-9(15)5-4-6-11(12)17/h4-6H,7-8H2,1-3H3,(H,19,20,21)/b16-10-</moldb-inchi>
  <moldb-inchikey>ZUNXFMINBQENAU-YBEGLDIGSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">360.0546705</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.5</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>CHEM287979</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>[(z)-[5-chloro-1-(2,2-dimethylpropanoyl)-2,3-dihydroquinolin-4-ylidene]amino] hydrogen sulfate</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>Organoheterocyclic compounds</superklass>
  <klass>Quinolines and derivatives</klass>
  <subklass>Hydroquinolines</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0243651</sync-id>
  <structure-inchikey>ZUNXFMINBQENAU-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4000000002000000040000000000000000000000000000002000000000000000200020002000000800000000a00000000400000000000000000000000400000008400000000010020000000000100000004000000000000000000011000000000204000000000000000020100000000020000000000000001400040000200800000000000000000000004000000000000000000000000000100000000000000000000081000400000000000000000088000000000000000000000000000000000000000010000000010000000000000201200000000000000000000000000000040000000000400004000000000000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������(�������(�������(�������`�������`�������(�������(�������(������� ������(�������(�������`������@(������@(������@h�������@h�������@h�������@(������� �������������������(��� �������	�	
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� �������������	� ��h���h���h���h���h������ ��h�B��������	�������������������</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:04:20Z</structure-indexed-at>
</compound>
