<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">312825</id>
  <title nil="true"/>
  <common-name>3-(2-chloro-7-methoxycarbazol-9-yl)-n,n-dimethylpropan-1-amine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>39019</pubchem-id>
  <chemical-formula>C18H21ClN2O</chemical-formula>
  <weight>316.8</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">2026-08-29T09:32:01Z</created-at>
  <updated-at type="dateTime">2026-08-29T09:32:01Z</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>CN(C)CCCN1C2=C(C=CC(=C2)OC)C3=C1C=C(C=C3)Cl</moldb-smiles>
  <moldb-formula>C18H21ClN2O</moldb-formula>
  <moldb-inchi>InChI=1S/C18H21ClN2O/c1-20(2)9-4-10-21-17-11-13(19)5-7-15(17)16-8-6-14(22-3)12-18(16)21/h5-8,11-12H,4,9-10H2,1-3H3</moldb-inchi>
  <moldb-inchikey>GQMRLDYWGFYOTL-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">316.134241</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.3</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>CHEM308718</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>3-(2-chloro-7-methoxycarbazol-9-yl)-n,n-dimethylpropan-1-amine</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>Indoles and derivatives</klass>
  <subklass>Carbazoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0263750</sync-id>
  <structure-inchikey>GQMRLDYWGFYOTL-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>100400000000800000000000000000000400000000000080000000000000000800000000200000000000000002000000000000000000000000000000000000000000400000000000400000000008000000000500000200000000000000040000200080000040000004104000000000000100201000000000000000000000000040000000000000000000004000100000000000000000000000000000000000000000000000040000080000000000000000000000000000000000000080000000000000000000080000000000000010000000000004000200000000000000000000000000000040000000010000000001000008000000000000000000</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">2026-09-19T05:19:42Z</structure-indexed-at>
</compound>
