Molecule ID: mol12030

SMILES: O=C(CC(=O)c1cccc(S(=O)(=O)O)c1)c1ccccc1

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization