Molecule ID: SM25

SMILES: O=C(CCc1ccccc1)NS(=O)(=O)c1ccccc1

InChI: InChI=1S/C15H15NO3S/c17-15(12-11-13-7-3-1-4-8-13)16-20(18,19)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,16,17)

Experimental Macro pKa Values

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