Molecule ID: mol28575
SMILES: CCc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1
InChI: InChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-7(11)4-6-8/h3-6H,2,11H2,1H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.93 | AttenGpKa training set | 1 » 0 |
| 5.60 | AttenGpKa training set | 0 » -1 |