Molecule ID: mol12233

SMILES: O=C(O)COc1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)c1

InChI: InChI=1S/C18H14N2O11S2/c21-13-7-12(32(25,26)27)4-9-5-14(33(28,29)30)17(18(24)16(9)13)20-19-10-2-1-3-11(6-10)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
9.48 IUPAC digitized pKa -4 » -5
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization