Molecule ID: SM40

SMILES: CN(C)S(=O)(=O)NC1(CCc2ccccc2)CS(=O)(=O)C1

InChI: InChI=1S/C13H20N2O4S2/c1-15(2)21(18,19)14-13(10-20(16,17)11-13)9-8-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization