Molecule ID: mol12323

SMILES: Cc1ccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)c(N=Nc4ccc(C)cc4)c(O)c3c2O)cc1

InChI: InChI=1S/C24H20N4O8S2/c1-13-3-7-16(8-4-13)25-27-21-18(37(31,32)33)11-15-12-19(38(34,35)36)22(24(30)20(15)23(21)29)28-26-17-9-5-14(2)6-10-17/h3-12,29-30H,1-2H3,(H,31,32,33)(H,34,35,36)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization