Molecule ID: mol37973

SMILES: O=C1C=Cc2cc(S(=O)(=O)O)ccc2/C1=N/Nc1ccccc1[N+](=O)[O-]

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

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization