Molecule ID: mol30955

SMILES: O=[N+]([O-])c1ccc2c(O)c(S(=O)(=O)O)cc(S(=O)(=O)O)c2c1

InChI: InChI=1S/C10H7NO9S2/c12-10-6-2-1-5(11(13)14)3-7(6)8(21(15,16)17)4-9(10)22(18,19)20/h1-4,12H,(H,15,16,17)(H,18,19,20)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.20 AttenGpKa training set -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization