7946 <common-name>MUSK, KETONE</common-name> <description nil="true"/> <cas>81-14-1</cas> <pubchem-id>6669</pubchem-id> <chemical-formula>C14H18N2O5</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">2016-05-19T02:18:18Z</created-at> <updated-at type="dateTime">2026-03-26T19:29:42Z</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>CC(=O)C1=C(C)C(=C(C(=C1C)N(=O)=O)C(C)(C)C)N(=O)=O</moldb-smiles> <moldb-formula>C14H18N2O5</moldb-formula> <moldb-inchi>InChI=1S/C14H18N2O5/c1-7-10(9(3)17)8(2)13(16(20)21)11(14(4,5)6)12(7)15(18)19/h1-6H3</moldb-inchi> <moldb-inchikey>WXCMHFPAUCOJIG-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">294.3031</moldb-average-mass> <moldb-mono-mass type="decimal">294.121571696</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>6417</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>CHEM006841</chemdb-id> <dsstox-id>DTXSID6025690</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00001194</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>108.71000000000001</moldb-polar-surface-area> <moldb-refractivity>79.85849999999999</moldb-refractivity> <moldb-polarizability>28.990963042932222</moldb-polarizability> <moldb-rotatable-bond-count>4</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>0</moldb-donor-count> <moldb-pka-strongest-acidic>15.833321351766209</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-7.434404967811325</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>3.28</moldb-alogps-logp> <moldb-alogps-logs>-4.80</moldb-alogps-logs> <moldb-alogps-solubility>4.63e-03 g/l</moldb-alogps-solubility> </compound>