17956 <common-name>Propyphenazone</common-name> <description nil="true"/> <cas>479-92-5</cas> <pubchem-id>3778</pubchem-id> <chemical-formula>C14H18N2O</chemical-formula> <weight>230.31</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">2016-05-22T03:45:31Z</created-at> <updated-at type="dateTime">2026-08-19T06:24:45Z</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>DB13524</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>CC(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1</moldb-smiles> <moldb-formula>C14H18N2O</moldb-formula> <moldb-inchi>InChI=1S/C14H18N2O/c1-10(2)13-11(3)15(4)16(14(13)17)12-8-6-5-7-9-12/h5-10H,1-4H3</moldb-inchi> <moldb-inchikey>PXWLVJLKJGVOKE-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">230.311</moldb-average-mass> <moldb-mono-mass type="decimal">230.141913208</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.35</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>3646</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>CHEM016851</chemdb-id> <dsstox-id>DTXSID6023529</dsstox-id> <toxcast-id>23529</toxcast-id> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010501</susdat-id> <iupac>1,5-dimethyl-2-phenyl-4-(propan-2-yl)-2,3-dihydro-1H-pyrazol-3-one</iupac> <moldb-polar-surface-area>23.55</moldb-polar-surface-area> <moldb-refractivity>69.9235</moldb-refractivity> <moldb-polarizability>26.427495335214473</moldb-polarizability> <moldb-rotatable-bond-count>2</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic nil="true"/> <moldb-pka-strongest-basic>0.47294779469232606</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>1.94</moldb-alogps-logp> <moldb-alogps-logs>-1.40</moldb-alogps-logs> <moldb-alogps-solubility>9.26e+00 g/l</moldb-alogps-solubility> </compound>