Molecule ID: mol37951

SMILES: O=[N+]([O-])c1ccc(/N=N/c2ccc(O)c3cc(S(=O)(=O)O)ccc23)cc1

InChI: InChI=1S/C16H11N3O6S/c20-16-8-7-15(13-6-5-12(9-14(13)16)26(23,24)25)18-17-10-1-3-11(4-2-10)19(21)22/h1-9,20H,(H,23,24,25)/b18-17+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.68 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization