Molecule ID: mol28470
SMILES: Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)[nH]1
InChI: InChI=1S/C9H11N5O2S/c1-6-11-9(13-12-6)14-17(15,16)8-4-2-7(10)3-5-8/h2-5H,10H2,1H3,(H2,11,12,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.20 | AttenGpKa training set | 1 » 0 |
| 5.45 | AttenGpKa training set | 0 » -1 |