Molecule ID: SM35

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

InChI: InChI=1S/C12H17NO3S2/c1-18(15,16)13-12(9-17(14)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
9.87 SAMPL7 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization