9154 <common-name>Dodemorph I</common-name> <description nil="true"/> <cas>1593-77-7</cas> <pubchem-id>61899</pubchem-id> <chemical-formula>C18H35NO</chemical-formula> <weight>281.5</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">2016-05-19T02:36:36Z</created-at> <updated-at type="dateTime">2026-04-17T15:33:25Z</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>CC1CN(CC(C)O1)C1CCCCCCCCCCC1</moldb-smiles> <moldb-formula>C18H35NO</moldb-formula> <moldb-inchi>InChI=1S/C18H35NO/c1-16-14-19(15-17(2)20-16)18-12-10-8-6-4-3-5-7-9-11-13-18/h16-18H,3-15H2,1-2H3</moldb-inchi> <moldb-inchikey>JMXKCYUTURMERF-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">281.484</moldb-average-mass> <moldb-mono-mass type="decimal">281.271864751</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>55760</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>CHEM008049</chemdb-id> <dsstox-id>DTXSID5041019</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin nil="true"/> <stoff-ident-id nil="true"/> <susdat-id>NS00010382</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>12.47</moldb-polar-surface-area> <moldb-refractivity>86.52039999999997</moldb-refractivity> <moldb-polarizability>36.232848360807374</moldb-polarizability> <moldb-rotatable-bond-count>1</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>8.975809062054552</moldb-pka-strongest-basic> <moldb-physiological-charge>1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>5.81</moldb-alogps-logp> <moldb-alogps-logs>-5.65</moldb-alogps-logs> <moldb-alogps-solubility>6.31e-04 g/l</moldb-alogps-solubility> </compound>