Molecule ID: mol28429
SMILES: Nc1ccc(S(=O)(=O)Nc2nnc[nH]2)cc1
InChI: InChI=1S/C8H9N5O2S/c9-6-1-3-7(4-2-6)16(14,15)13-8-10-5-11-12-8/h1-5H,9H2,(H2,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.15 | AttenGpKa training set | 1 » 0 |
| 4.77 | AttenGpKa training set | 0 » -1 |