Molecule ID: mol12131

SMILES: Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3O)c(O)c12

InChI: InChI=1S/C16H13N3O8S2/c17-10-7-9(28(22,23)24)5-8-6-13(29(25,26)27)15(16(21)14(8)10)19-18-11-3-1-2-4-12(11)20/h1-7,20-21H,17H2,(H,22,23,24)(H,25,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization