Molecule ID: mol13607
SMILES: CC1(C)NC(=O)NC1=O
InChI: InChI=1S/C5H8N2O2/c1-5(2)3(8)6-4(9)7-5/h1-2H3,(H2,6,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.19 | QSARToolbox | 0 » -1 |
| 9.19 | QSARToolbox | 0 » -1 |
| 9.19 | QSARToolbox | 0 » -1 |
| 9.19 | OCHEM | 0 » -1 |
| 9.19 | Datawarrior | 0 » -1 |
| 9.19 | OCHEM | 0 » -1 |
| 9.19 | OCHEM | 0 » -1 |
| 9.19 | AttenGpKa training set | 0 » -1 |