Molecule ID: mol14880
SMILES: Cc1ccc(S(=O)(=O)NCCC(=N)N(C)C)cc1
InChI: InChI=1S/C12H19N3O2S/c1-10-4-6-11(7-5-10)18(16,17)14-9-8-12(13)15(2)3/h4-7,13-14H,8-9H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.84 | Datawarrior | 1 » 0 |
| 9.84 | QSARToolbox | 1 » 0 |
| 9.84 | OCHEM | 1 » 0 |
| 11.40 | Datawarrior | 0 » -1 |
| 11.40 | AttenGpKa training set | 0 » -1 |
| 11.40 | AttenGpKa training set | 0 » -1 |