<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">43706</id>
  <title nil="true"/>
  <common-name>7-ethoxyacridine-3,9-diamine</common-name>
  <description nil="true"/>
  <cas>37222-28-9</cas>
  <pubchem-id>2017</pubchem-id>
  <chemical-formula>C15H15N3O</chemical-formula>
  <weight nil="true"/>
  <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">2016-06-03T10:00:34Z</created-at>
  <updated-at type="dateTime">2026-05-14T19:30:54Z</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>DB13190</drugbank-id>
  <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>CCOC1=CC2=C(NC3=C(C=CC(N)=C3)C2=N)C=C1</moldb-smiles>
  <moldb-formula>C15H15N3O</moldb-formula>
  <moldb-inchi>InChI=1S/C15H15N3O/c1-2-19-10-4-6-13-12(8-10)15(17)11-5-3-9(16)7-14(11)18-13/h3-8H,2,16H2,1H3,(H2,17,18)</moldb-inchi>
  <moldb-inchikey>CIKWKGFPFXJVGW-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">253.305</moldb-average-mass>
  <moldb-mono-mass type="decimal">253.121512115</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>2.28</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>1940</chemspider-id>
  <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>CHEM042601</chemdb-id>
  <dsstox-id>DTXSID2048402</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>chemicalize.org</stoff-ident-origin>
  <stoff-ident-id>SI00000665</stoff-ident-id>
  <susdat-id>NS00007760</susdat-id>
  <iupac>7-ethoxy-9-imino-9,10-dihydroacridin-3-amine</iupac>
  <moldb-polar-surface-area>71.13000000000001</moldb-polar-surface-area>
  <moldb-refractivity>87.44590000000002</moldb-refractivity>
  <moldb-polarizability>28.24681338901329</moldb-polarizability>
  <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>3</moldb-donor-count>
  <moldb-pka-strongest-acidic>18.093012863675245</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>12.120839472321792</moldb-pka-strongest-basic>
  <moldb-physiological-charge>1</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>2.59</moldb-alogps-logp>
  <moldb-alogps-logs>-3.12</moldb-alogps-logs>
  <moldb-alogps-solubility>1.92e-01 g/l</moldb-alogps-solubility>
</compound>
