<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">18925</id>
  <title nil="true"/>
  <common-name>Tolnaftate</common-name>
  <description nil="true"/>
  <cas>2398-96-1</cas>
  <pubchem-id>39211</pubchem-id>
  <chemical-formula>C19H17NOS</chemical-formula>
  <weight>307.4</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">2016-05-22T04:40:34Z</created-at>
  <updated-at type="dateTime">2026-05-14T16:41:12Z</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>DB00525</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>CN(C(=S)OC1=CC2=CC=CC=C2C=C1)C1=CC=CC(C)=C1</moldb-smiles>
  <moldb-formula>C19H17NOS</moldb-formula>
  <moldb-inchi>InChI=1S/C19H17NOS/c1-14-6-5-9-17(12-14)20(2)19(22)21-18-11-10-15-7-3-4-8-16(15)13-18/h3-13H,1-2H3</moldb-inchi>
  <moldb-inchikey>FUSNMLFNXJSCDI-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">307.409</moldb-average-mass>
  <moldb-mono-mass type="decimal">307.103084861</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>5.75</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>5309</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>CHEM017820</chemdb-id>
  <dsstox-id>DTXSID3042477</dsstox-id>
  <toxcast-id>42477</toxcast-id>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00000538</susdat-id>
  <iupac>N-methyl-N-(3-methylphenyl)-1-(naphthalen-2-yloxy)methanethioamide</iupac>
  <moldb-polar-surface-area>12.47</moldb-polar-surface-area>
  <moldb-refractivity>94.92040000000004</moldb-refractivity>
  <moldb-polarizability>34.22480823447255</moldb-polarizability>
  <moldb-rotatable-bond-count>3</moldb-rotatable-bond-count>
  <moldb-acceptor-count>1</moldb-acceptor-count>
  <moldb-donor-count>0</moldb-donor-count>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic>0.07504048749554171</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>4.87</moldb-alogps-logp>
  <moldb-alogps-logs>-5.75</moldb-alogps-logs>
  <moldb-alogps-solubility>5.46e-04 g/l</moldb-alogps-solubility>
</compound>
