Molecule ID: SM29

SMILES: CS(=O)(=O)NC1(CCc2ccccc2)COC1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization