Molecule ID: mol11033

SMILES: Cc1ccc(S(=O)(=O)CC(=O)O)cc1

InChI: InChI=1S/C9H10O4S/c1-7-2-4-8(5-3-7)14(12,13)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
2.54 QSARToolbox 0 » -1
2.54 QSARToolbox 0 » -1
2.54 IUPAC digitized pKa 0 » -1
2.54 AttenGpKa training set 0 » -1
2.62 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization