Molecule ID: mol28509

SMILES: Nc1ccc(S(=O)(=O)Nc2cc(N)ccn2)cc1

InChI: InChI=1S/C11H12N4O2S/c12-8-1-3-10(4-2-8)18(16,17)15-11-7-9(13)5-6-14-11/h1-7H,12H2,(H3,13,14,15)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization