Molecule ID: mol30734

SMILES: Cc1cc(S(=O)(=O)O)cc([N+](=O)[O-])c1O

InChI: InChI=1S/C7H7NO6S/c1-4-2-5(15(12,13)14)3-6(7(4)9)8(10)11/h2-3,9H,1H3,(H,12,13,14)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization