9220 <common-name>Lenacil</common-name> <description nil="true"/> <cas>96639</cas> <pubchem-id>16559</pubchem-id> <chemical-formula>C13H18N2O2</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">2016-05-19T02:38:28Z</created-at> <updated-at type="dateTime">2026-03-26T18:31:59Z</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>OC1=NC2=C(CCC2)C(=O)N1C1CCCCC1</moldb-smiles> <moldb-formula>C13H18N2O2</moldb-formula> <moldb-inchi>InChI=1S/C13H18N2O2/c16-12-10-7-4-8-11(10)14-13(17)15(12)9-5-2-1-3-6-9/h9H,1-8H2,(H,14,17)</moldb-inchi> <moldb-inchikey>ZTMKADLOSYKWCA-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">234.299</moldb-average-mass> <moldb-mono-mass type="decimal">234.136827828</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>15699</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>CHEM008115</chemdb-id> <dsstox-id>DTXSID9042093</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00000444</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>52.900000000000006</moldb-polar-surface-area> <moldb-refractivity>65.29990000000001</moldb-refractivity> <moldb-polarizability>25.759254087234552</moldb-polarizability> <moldb-rotatable-bond-count>1</moldb-rotatable-bond-count> <moldb-acceptor-count>3</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>4.2366697720898525</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-0.8295173075474273</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>3</moldb-number-of-rings> <moldb-alogps-logp>1.63</moldb-alogps-logp> <moldb-alogps-logs>-2.47</moldb-alogps-logs> <moldb-alogps-solubility>7.93e-01 g/l</moldb-alogps-solubility> </compound>