317141 <common-name>(3e)-3-(2-chloro-6h-benzo[c][1]benzothiepin-11-ylidene)-n,n-dimethylpropan-1-amine</common-name> <description nil="true"/> <cas nil="true"/> <pubchem-id>6435541</pubchem-id> <chemical-formula>C19H20ClNS</chemical-formula> <weight>329.9</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">2026-08-29T15:08:23Z</created-at> <updated-at type="dateTime">2026-08-29T15:08:23Z</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)CCC=C1C2=CC=CC=C2CSC3=C1C=C(C=C3)Cl</moldb-smiles> <moldb-formula>C19H20ClNS</moldb-formula> <moldb-inchi>InChI=1S/C19H20ClNS/c1-21(2)11-5-8-17-16-7-4-3-6-14(16)13-22-19-10-9-15(20)12-18(17)19/h3-4,6-10,12H,5,11,13H2,1-2H3/b17-8+</moldb-inchi> <moldb-inchikey>DLJBOZHCEAEORP-CAOOACKPSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">329.1004985</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>5.1</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>CHEM313034</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>(3e)-3-(2-chloro-6h-benzo[c][1]benzothiepin-11-ylidene)-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>Benzothiepins</klass> <subklass>Dibenzothiepins</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0267967</sync-id> <structure-inchikey>DLJBOZHCEAEORP-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>800000000200000000040400000000000080000000000000000080000000000000008000000000004000000000000000000a10000000000000000000400000000000000000000008000010000600000000000080000020000180000080000010001000104000000000020000040000000080000400000000000040000000800000008000000000100000000100000000080000000000000000000000000000000001080000000000000000000000000000000000000000000000000000000000000000000000000010000008000002000200000000000000000000000000000040000000000000000001000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������� ������`�������`�������`�������h��������(������@(������@h�������@h�������@h�������@h�������@(�������`������� �����@(������@(������@h�������@(������@h�������@h�������� ����������������������(��� ��h�� h� h� �h���h�� � �������h���h���h���h���h������ ��h���h�B�������� ����� ��������������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:23:03Z</structure-indexed-at> </compound>