<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">339233</id>
  <title nil="true"/>
  <common-name>[5-(dimethylamino)-2-naphthalen-1-ylpentyl] 2,4-dichlorobenzoate</common-name>
  <description>[5-(dimethylamino)-2-naphthalen-1-ylpentyl] 2,4-dichlorobenzoate is a chemical compound with the formula C24H25Cl2NO2. It has an average molecular weight of 430.40 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>3088914</pubchem-id>
  <chemical-formula>C24H25Cl2NO2</chemical-formula>
  <weight>430.4</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">2026-08-30T22:30:26Z</created-at>
  <updated-at type="dateTime">2026-08-30T22:30:26Z</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)CCCC(COC(=O)C1=C(C=C(C=C1)Cl)Cl)C2=CC=CC3=CC=CC=C32</moldb-smiles>
  <moldb-formula>C24H25Cl2NO2</moldb-formula>
  <moldb-inchi>InChI=1S/C24H25Cl2NO2/c1-27(2)14-6-9-18(21-11-5-8-17-7-3-4-10-20(17)21)16-29-24(28)22-13-12-19(25)15-23(22)26/h3-5,7-8,10-13,15,18H,6,9,14,16H2,1-2H3</moldb-inchi>
  <moldb-inchikey>IOXKYFICDHXGPO-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">429.1262344</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>6.8</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>CHEM335126</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>[5-(dimethylamino)-2-naphthalen-1-ylpentyl] 2,4-dichlorobenzoate</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>Benzenoids</superklass>
  <klass>Naphthalenes</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0289655</sync-id>
  <structure-inchikey>IOXKYFICDHXGPO-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000000000000001800800000000200000050000400000000000080000400000000400000000000000000000002000000000000000000000000000000000000000000000000400044000000000000000028000000000500000000001000000000000000010080000000000000104000000000000000200000000000000000000001000040000001800080000080001000100000000100400000000000000000000000080000000000040000080000000000000000000000000000000000000000000000040000000000000000000000004010004000000000000300000000000000000000000001000040000000010400000001000000000300000000000040</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAdAAAAHwAAAIABBgBgAAAAAQMHACAAAAAD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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:39:46Z</structure-indexed-at>
</compound>
