Molecule ID: mol12031

SMILES: O=C(CC(=O)c1ccc(S(=O)(=O)O)cc1)c1ccccc1

InChI: InChI=1S/C15H12O5S/c16-14(11-4-2-1-3-5-11)10-15(17)12-6-8-13(9-7-12)21(18,19)20/h1-9H,10H2,(H,18,19,20)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
8.27 IUPAC digitized pKa -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization