Molecule ID: mol11457

SMILES: Nc1cc2c(O)cc(S(=O)(=O)O)cc2cc1S(=O)(=O)O

InChI: InChI=1S/C10H9NO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.49 IUPAC digitized pKa -1 » -2
8.54 IUPAC digitized pKa -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization