Molecule ID: mol28428

SMILES: Nc1ccc(S(=O)(=O)Nn2cnnc2)cc1

InChI: InChI=1S/C8H9N5O2S/c9-7-1-3-8(4-2-7)16(14,15)12-13-5-10-11-6-13/h1-6,12H,9H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization