Molecule ID: mol12236

SMILES: O=C(O)C(O)c1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)cc1

InChI: InChI=1S/C18H14N2O11S2/c21-12-7-11(32(26,27)28)5-9-6-13(33(29,30)31)15(17(23)14(9)12)20-19-10-3-1-8(2-4-10)16(22)18(24)25/h1-7,16,21-23H,(H,24,25)(H,26,27,28)(H,29,30,31)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.90 IUPAC digitized pKa -2 » -3
9.20 IUPAC digitized pKa -4 » -5
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization