Molecule ID: SM30

SMILES: O=S(=O)(NC1(CCc2ccccc2)COC1)c1ccccc1

InChI: InChI=1S/C17H19NO3S/c19-22(20,16-9-5-2-6-10-16)18-17(13-21-14-17)12-11-15-7-3-1-4-8-15/h1-10,18H,11-14H2

Experimental Macro pKa Values

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