Molecule ID: mol23552

SMILES: O=C(O)CCc1ccc(S(=O)(=O)O)cc1

InChI: InChI=1S/C9H10O5S/c10-9(11)6-3-7-1-4-8(5-2-7)15(12,13)14/h1-2,4-5H,3,6H2,(H,10,11)(H,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization