Molecule ID: mol12311

SMILES: O=C(O)c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3)c(O)c2c1O

InChI: InChI=1S/C23H16N4O10S2/c28-21-18-12(10-16(38(32,33)34)19(21)26-24-13-6-2-1-3-7-13)11-17(39(35,36)37)20(22(18)29)27-25-15-9-5-4-8-14(15)23(30)31/h1-11,28-29H,(H,30,31)(H,32,33,34)(H,35,36,37)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization