Molecule ID: mol30556

SMILES: CC/N=C/c1ccc(S(=O)(=O)O)cc1O

InChI: InChI=1S/C9H11NO4S/c1-2-10-6-7-3-4-8(5-9(7)11)15(12,13)14/h3-6,11H,2H2,1H3,(H,12,13,14)/b10-6+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.79 AttenGpKa training set 0 » -1
11.10 AttenGpKa training set -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization