Molecule ID: mol29660

SMILES: CCS(=O)(=O)c1ncccc1S(N)(=O)=O

InChI: InChI=1S/C7H10N2O4S2/c1-2-14(10,11)7-6(15(8,12)13)4-3-5-9-7/h3-5H,2H2,1H3,(H2,8,12,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization