Molecule ID: mol12109

SMILES: O=[N+]([O-])c1ccc(N=Nc2c(O)c(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c(O)c1

InChI: InChI=1S/C16H11N3O10S2/c20-13-7-9(19(22)23)1-4-12(13)17-18-15-11-3-2-10(30(24,25)26)5-8(11)6-14(16(15)21)31(27,28)29/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
6.59 IUPAC digitized pKa -2 » -3
12.95 IUPAC digitized pKa -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization