Molecule ID: mol24991

SMILES: COc1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)cc1

InChI: InChI=1S/C17H14N2O5S/c1-24-12-8-6-11(7-9-12)18-19-15-10-16(25(21,22)23)13-4-2-3-5-14(13)17(15)20/h2-10,20H,1H3,(H,21,22,23)/b19-18+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-2.42 AttenGpKa training set 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization