Molecule ID: mol15268
SMILES: CNC(=N)CCNS(=O)(=O)c1ccc(C)cc1
InChI: InChI=1S/C11H17N3O2S/c1-9-3-5-10(6-4-9)17(15,16)14-8-7-11(12)13-2/h3-6,14H,7-8H2,1-2H3,(H2,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.02 | Datawarrior | 1 » 0 |
| 10.02 | OCHEM | 1 » 0 |
| 10.02 | QSARToolbox | 1 » 0 |
| 10.20 | AttenGpKa training set | 1 » 0 |
| 11.90 | Datawarrior | 0 » -1 |
| 11.90 | OCHEM | 0 » -1 |
| 11.90 | AttenGpKa training set | 0 » -1 |