Molecule ID: mol28504

SMILES: Nc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1

InChI: InChI=1S/C12H13N3O2S/c13-9-1-5-11(6-2-9)15-18(16,17)12-7-3-10(14)4-8-12/h1-8,15H,13-14H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
1.85 AttenGpKa training set 2 » 1
3.00 AttenGpKa training set 2 » 1
10.22 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization