Molecule ID: mol38262

SMILES: O=S(=O)(O)c1cc(O)c2c(O)c(N=Nc3ccccc3O)c(S(=O)(=O)O)cc2c1

InChI: InChI=1S/C16H12N2O9S2/c19-11-4-2-1-3-10(11)17-18-15-13(29(25,26)27)6-8-5-9(28(22,23)24)7-12(20)14(8)16(15)21/h1-7,19-21H,(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
7.55 QSARToolbox -3 » -4
9.28 QSARToolbox -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization