Molecule ID: mol12107

SMILES: O=[N+]([O-])c1cccc(N=Nc2c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c3c2O)c1

InChI: InChI=1S/C16H11N3O10S2/c20-12-7-11(30(24,25)26)4-8-5-13(31(27,28)29)15(16(21)14(8)12)18-17-9-2-1-3-10(6-9)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
8.60 IUPAC digitized pKa -2 » -3
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization