Molecule ID: SM27

SMILES: CC1(NS(=O)(=O)CCc2ccccc2)COC1

InChI: InChI=1S/C12H17NO3S/c1-12(9-16-10-12)13-17(14,15)8-7-11-5-3-2-4-6-11/h2-6,13H,7-10H2,1H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
10.45 SAMPL7 0 » -1
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Charge States and Microspecies Visualization