19548 <common-name>Dropropizine</common-name> <description nil="true"/> <cas>17692-31-8</cas> <pubchem-id>3169</pubchem-id> <chemical-formula>C13H20N2O2</chemical-formula> <weight>236.31</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">2016-05-22T05:15:31Z</created-at> <updated-at type="dateTime">2026-08-19T02:07:27Z</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>DB13785</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>OCC(O)CN1CCN(CC1)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C13H20N2O2</moldb-formula> <moldb-inchi>InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2</moldb-inchi> <moldb-inchikey>PTVWPYVOOKLBCG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">236.315</moldb-average-mass> <moldb-mono-mass type="decimal">236.152477892</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>0.61</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3057</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>CHEM018443</chemdb-id> <dsstox-id>DTXSID0045624</dsstox-id> <toxcast-id>45624</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000610</susdat-id> <iupac>3-(4-phenylpiperazin-1-yl)propane-1,2-diol</iupac> <moldb-polar-surface-area>46.94</moldb-polar-surface-area> <moldb-refractivity>68.79150000000001</moldb-refractivity> <moldb-polarizability>26.76974502457376</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>13.997467028754752</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>7.648219667374609</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>0.63</moldb-alogps-logp> <moldb-alogps-logs>-0.39</moldb-alogps-logs> <moldb-alogps-solubility>9.71e+01 g/l</moldb-alogps-solubility> <kingdom>Organic compounds</kingdom> <superklass>Organoheterocyclic compounds</superklass> <klass>Diazinanes</klass> <subklass>Piperazines</subklass> <paper-count type="integer" nil="true"/> </compound>