46318 <common-name>piroctone</common-name> <description nil="true"/> <cas>50650-76-5</cas> <pubchem-id>50259</pubchem-id> <chemical-formula>C14H23NO2</chemical-formula> <weight>237.34</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">2016-06-03T12:56:35Z</created-at> <updated-at type="dateTime">2026-08-19T07:34:00Z</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>DB15946</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(CC1=CC(C)=CC(=O)N1O)CC(C)(C)C</moldb-smiles> <moldb-formula>C14H23NO2</moldb-formula> <moldb-inchi>InChI=1S/C14H23NO2/c1-10-6-12(15(17)13(16)8-10)7-11(2)9-14(3,4)5/h6,8,11,17H,7,9H2,1-5H3</moldb-inchi> <moldb-inchikey>OIQJEQLSYJSNDS-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">237.343</moldb-average-mass> <moldb-mono-mass type="decimal">237.172878985</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>3.19</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>45575</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>CHEM045213</chemdb-id> <dsstox-id>DTXSID2048298</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>UBA</stoff-ident-origin> <stoff-ident-id>SI00007531</stoff-ident-id> <susdat-id>NS00001843</susdat-id> <iupac>1-hydroxy-4-methyl-6-(2,4,4-trimethylpentyl)-1,2-dihydropyridin-2-one</iupac> <moldb-polar-surface-area>40.540000000000006</moldb-polar-surface-area> <moldb-refractivity>71.8103</moldb-refractivity> <moldb-polarizability>27.67616671744479</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>2</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>6.871311347336972</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.354288416675144</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.77</moldb-alogps-logp> <moldb-alogps-logs>-2.83</moldb-alogps-logs> <moldb-alogps-solubility>3.51e-01 g/l</moldb-alogps-solubility> </compound>