9093 <common-name>Cycluron</common-name> <description nil="true"/> <cas>2163-69-1</cas> <pubchem-id>16554</pubchem-id> <chemical-formula>C11H22N2O</chemical-formula> <weight>198.31</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">2016-05-19T02:34:57Z</created-at> <updated-at type="dateTime">2026-08-18T13:30:38Z</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>CN(C)C(O)=NC1CCCCCCC1</moldb-smiles> <moldb-formula>C11H22N2O</moldb-formula> <moldb-inchi>InChI=1S/C11H22N2O/c1-13(2)11(14)12-10-8-6-4-3-5-7-9-10/h10H,3-9H2,1-2H3,(H,12,14)</moldb-inchi> <moldb-inchikey>DQZCVNGCTZLGAQ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">198.31</moldb-average-mass> <moldb-mono-mass type="decimal">198.173213336</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.4</logp> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>15694</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>CHEM007988</chemdb-id> <dsstox-id>DTXSID8041824</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00008784</susdat-id> <iupac>3-cyclooctyl-1,1-dimethylurea</iupac> <moldb-polar-surface-area>35.83</moldb-polar-surface-area> <moldb-refractivity>58.9686</moldb-refractivity> <moldb-polarizability>23.634490489725692</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>-0.5156679817671259</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>15.000000001035765</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>1</moldb-number-of-rings> <moldb-alogps-logp>2.71</moldb-alogps-logp> <moldb-alogps-logs>-2.61</moldb-alogps-logs> <moldb-alogps-solubility>4.82e-01 g/l</moldb-alogps-solubility> </compound>