Molecule ID: mol25012

SMILES: O=S(=O)(O)c1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)cc1

InChI: InChI=1S/C16H12N2O7S2/c19-16-13-4-2-1-3-12(13)15(27(23,24)25)9-14(16)18-17-10-5-7-11(8-6-10)26(20,21)22/h1-9,19H,(H,20,21,22)(H,23,24,25)/b18-17+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
-3.99 AttenGpKa training set 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization