Molecule ID: mol12184

SMILES: COc1ccccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(O)c2c1O

InChI: InChI=1S/C17H14N2O9S2/c1-28-13-5-3-2-4-11(13)18-19-16-14(30(25,26)27)7-9-6-10(29(22,23)24)8-12(20)15(9)17(16)21/h2-8,20-21H,1H3,(H,22,23,24)(H,25,26,27)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
10.00 IUPAC digitized pKa -3 » -4
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization