Molecule ID: mol32354

SMILES: O=S(=O)(O)c1ccc2c(N=Nc3ccc4[nH]cnc4c3)c(O)c(S(=O)(=O)O)cc2c1

InChI: InChI=1S/C17H12N4O7S2/c22-17-15(30(26,27)28)6-9-5-11(29(23,24)25)2-3-12(9)16(17)21-20-10-1-4-13-14(7-10)19-8-18-13/h1-8,22H,(H,18,19)(H,23,24,25)(H,26,27,28)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
9.80 QSARToolbox -2 » -3
9.80 OCHEM -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization