Molecule ID: SM36

SMILES: O=S(=O)(NC1(CCc2ccccc2)C[S+]([O-])C1)c1ccccc1

InChI: InChI=1S/C17H19NO3S2/c19-22-13-17(14-22,12-11-15-7-3-1-4-8-15)18-23(20,21)16-9-5-2-6-10-16/h1-10,18H,11-14H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.80 SAMPL7 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization