<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">314057</id>
  <title nil="true"/>
  <common-name>3-(2-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-yl)-n,n-dimethylpropan-1-amine</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>52526</pubchem-id>
  <chemical-formula>C18H25FN2</chemical-formula>
  <weight>288.4</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">2026-08-29T11:02:30Z</created-at>
  <updated-at type="dateTime">2026-08-29T11:02:30Z</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)CCCC1CCCCC2=C1C3=C(N2)C=CC(=C3)F</moldb-smiles>
  <moldb-formula>C18H25FN2</moldb-formula>
  <moldb-inchi>InChI=1S/C18H25FN2/c1-21(2)11-5-7-13-6-3-4-8-17-18(13)15-12-14(19)9-10-16(15)20-17/h9-10,12-13,20H,3-8,11H2,1-2H3</moldb-inchi>
  <moldb-inchikey>GCJWOMXLDCJTQH-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">288.200177</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.5</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>CHEM309950</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-fluoro-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-10-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>Indoles</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0264956</sync-id>
  <structure-inchikey>GCJWOMXLDCJTQH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>400000000001000000008000000001000000000000000200400000000000000000000000000002000000000000000002000000000000000000000000000000000000000000000000000000000000000000080000080004100000000000000000000000000000000080000000001040200000000200002000000000000000001008000000c0000100000000a00000000000100000000000000000000000000000000010000004000000040000080000002000000000000000000100000008000000000000000000000010000000008000020000000000000000204200000000000000000000000000000040000000010000801001000000000000000000000800</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������`�������`�������`�������`�������`�������`������@(������@(������@(������@(������@8�������@h�������@h�������@(������@h������	� ������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:20:34Z</structure-indexed-at>
</compound>
