Molecule ID: mol12183

SMILES: COc1ccc(N=Nc2ccc(O)c3ccc(S(=O)(=O)O)cc23)cc1

InChI: InChI=1S/C17H14N2O5S/c1-24-12-4-2-11(3-5-12)18-19-16-8-9-17(20)14-7-6-13(10-15(14)16)25(21,22)23/h2-10,20H,1H3,(H,21,22,23)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization