15029 <common-name>2-[3-[1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctylsulfonyl(3-sulfopropyl)amino]propyl-dimethylazaniumyl]ethanolate</common-name> <description nil="true"/> <cas>68298-11-3</cas> <pubchem-id>73556412</pubchem-id> <chemical-formula>C18H24F17N2O6S2</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">2016-05-19T04:20:34Z</created-at> <updated-at type="dateTime">2026-03-31T17:50:23Z</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>C[N+](C)(CCO)CCCN(CCCS(O)(=O)=O)S([O])([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F</moldb-smiles> <moldb-formula>C18H24F17N2O6S2</moldb-formula> <moldb-inchi>InChI=1S/C18H24F17N2O6S2/c1-37(2,8-9-38)7-3-5-36(6-4-10-44(39,40)41)45(42,43)18(34,35)16(29,30)14(25,26)12(21,22)11(19,20)13(23,24)15(27,28)17(31,32)33/h38H,3-10H2,1-2H3,(H-,39,40,41,42)</moldb-inchi> <moldb-inchikey>SVWKAQRVOURTTI-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">751.49</moldb-average-mass> <moldb-mono-mass type="decimal">751.08043262</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>62982524</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>CHEM013924</chemdb-id> <dsstox-id>DTXSID70880598</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>PubChem</stoff-ident-origin> <stoff-ident-id>SI00005131</stoff-ident-id> <susdat-id>NS00009594</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>100.9</moldb-polar-surface-area> <moldb-refractivity>126.94980000000004</moldb-refractivity> <moldb-polarizability>51.21156338328262</moldb-polarizability> <moldb-rotatable-bond-count>19</moldb-rotatable-bond-count> <moldb-acceptor-count>7</moldb-acceptor-count> <moldb-donor-count>2</moldb-donor-count> <moldb-pka-strongest-acidic>-2.077943255505745</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>4.22749930676634</moldb-pka-strongest-basic> <moldb-physiological-charge>0</moldb-physiological-charge> <moldb-number-of-rings>0</moldb-number-of-rings> <moldb-alogps-logp>2.22</moldb-alogps-logp> <moldb-alogps-logs>-4.43</moldb-alogps-logs> <moldb-alogps-solubility>3.01e-02 g/l</moldb-alogps-solubility> </compound>