Molecule ID: mol12106

SMILES: O=[N+]([O-])c1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O

InChI: InChI=1S/C16H11N3O10S2/c20-12-7-9(30(24,25)26)5-8-6-13(31(27,28)29)15(16(21)14(8)12)18-17-10-3-1-2-4-11(10)19(22)23/h1-7,20-21H,(H,24,25,26)(H,27,28,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization