Molecule ID: mol24678

SMILES: Cc1ccc(S(=O)(=O)OCC2CC3CCN2CC3)cc1

InChI: InChI=1S/C15H21NO3S/c1-12-2-4-15(5-3-12)20(17,18)19-11-14-10-13-6-8-16(14)9-7-13/h2-5,13-14H,6-11H2,1H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.09 AttenGpKa training set 1 » 0
9.09 QSARToolbox 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization