46555 <common-name>1,4-dicyclohexylsulfosuccinic acid</common-name> <description nil="true"/> <cas>137361-04-7</cas> <pubchem-id>90918</pubchem-id> <chemical-formula>C16H26O7S</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">2016-06-03T13:17:51Z</created-at> <updated-at type="dateTime">2026-03-27T01:20:52Z</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>OS(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1</moldb-smiles> <moldb-formula>C16H26O7S</moldb-formula> <moldb-inchi>InChI=1S/C16H26O7S/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13/h12-14H,1-11H2,(H,19,20,21)</moldb-inchi> <moldb-inchikey>QPSVFNQMURAADJ-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal">362.44</moldb-average-mass> <moldb-mono-mass type="decimal">362.139924351</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp nil="true"/> <hmdb-id nil="true"/> <chembl-id nil="true"/> <chemspider-id>82099</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>CHEM045450</chemdb-id> <dsstox-id>DTXSID3047213</dsstox-id> <toxcast-id nil="true"/> <stoff-ident-origin>REACH</stoff-ident-origin> <stoff-ident-id>SI00008249</stoff-ident-id> <susdat-id>NS00007209</susdat-id> <iupac nil="true"/> <moldb-polar-surface-area>106.97</moldb-polar-surface-area> <moldb-refractivity>85.08339999999997</moldb-refractivity> <moldb-polarizability>36.80520207594445</moldb-polarizability> <moldb-rotatable-bond-count>8</moldb-rotatable-bond-count> <moldb-acceptor-count>5</moldb-acceptor-count> <moldb-donor-count>1</moldb-donor-count> <moldb-pka-strongest-acidic>-0.8124331117533208</moldb-pka-strongest-acidic> <moldb-pka-strongest-basic>-6.87605320828239</moldb-pka-strongest-basic> <moldb-physiological-charge>-1</moldb-physiological-charge> <moldb-number-of-rings>2</moldb-number-of-rings> <moldb-alogps-logp>0.10</moldb-alogps-logp> <moldb-alogps-logs>-3.35</moldb-alogps-logs> <moldb-alogps-solubility>1.63e-01 g/l</moldb-alogps-solubility> </compound>