<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">16614</id>
  <title nil="true"/>
  <common-name>2-Naphthalenecarboxamide, N-(2-ethoxyphenyl)-3-hydroxy-</common-name>
  <description nil="true"/>
  <cas>92-74-0</cas>
  <pubchem-id>66716</pubchem-id>
  <chemical-formula>C19H17NO3</chemical-formula>
  <weight nil="true"/>
  <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">2016-05-19T04:52:47Z</created-at>
  <updated-at type="dateTime">2026-03-31T17:29:16Z</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>CCOC1=CC=CC=C1N=C(O)C1=CC2=CC=CC=C2C=C1O</moldb-smiles>
  <moldb-formula>C19H17NO3</moldb-formula>
  <moldb-inchi>InChI=1S/C19H17NO3/c1-2-23-18-10-6-5-9-16(18)20-19(22)15-11-13-7-3-4-8-14(13)12-17(15)21/h3-12,21H,2H2,1H3,(H,20,22)</moldb-inchi>
  <moldb-inchikey>NXIGDUAONGBUKR-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal">307.349</moldb-average-mass>
  <moldb-mono-mass type="decimal">307.120843411</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id>60082</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>CHEM015509</chemdb-id>
  <dsstox-id>DTXSID2059063</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin>REACH</stoff-ident-origin>
  <stoff-ident-id>SI00005532</stoff-ident-id>
  <susdat-id>NS00009062</susdat-id>
  <iupac nil="true"/>
  <moldb-polar-surface-area>62.05000000000001</moldb-polar-surface-area>
  <moldb-refractivity>91.98949999999999</moldb-refractivity>
  <moldb-polarizability>33.4323748938558</moldb-polarizability>
  <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count>
  <moldb-acceptor-count>4</moldb-acceptor-count>
  <moldb-donor-count>2</moldb-donor-count>
  <moldb-pka-strongest-acidic>4.837701367457315</moldb-pka-strongest-acidic>
  <moldb-pka-strongest-basic>-0.6183498791822689</moldb-pka-strongest-basic>
  <moldb-physiological-charge>0</moldb-physiological-charge>
  <moldb-number-of-rings>3</moldb-number-of-rings>
  <moldb-alogps-logp>4.13</moldb-alogps-logp>
  <moldb-alogps-logs>-4.66</moldb-alogps-logs>
  <moldb-alogps-solubility>6.65e-03 g/l</moldb-alogps-solubility>
</compound>
