Molecule ID: mol10621

SMILES: O=C(O)CS(=O)(=O)c1ccccc1

InChI: InChI=1S/C8H8O4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.44 OCHEM 0 » -1
2.44 OCHEM 0 » -1
2.48 AttenGpKa training set 0 » -1
2.51 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization