Molecule ID: mol12232

SMILES: O=C(O)COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O

InChI: InChI=1S/C18H14N2O11S2/c21-12-7-10(32(25,26)27)5-9-6-14(33(28,29)30)17(18(24)16(9)12)20-19-11-3-1-2-4-13(11)31-8-15(22)23/h1-7,21,24H,8H2,(H,22,23)(H,25,26,27)(H,28,29,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization