Molecule ID: mol28774

SMILES: COc1ccc(CNS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

InChI: InChI=1S/C14H14N2O6S/c1-21-13-6-2-11(3-7-13)10-15-23(19,20)22-14-8-4-12(5-9-14)16(17)18/h2-9,15H,10H2,1H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization