Molecule ID: mol9395
SMILES: CC1(C)OC(=O)NC1=O
InChI: InChI=1S/C5H7NO3/c1-5(2)3(7)6-4(8)9-5/h1-2H3,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.11 | QSARToolbox | 0 » -1 |
| 6.13 | QSARToolbox | 0 » -1 |
| 6.15 | Datawarrior | 0 » -1 |
| 6.15 | OCHEM | 0 » -1 |
| 6.20 | AttenGpKa training set | 0 » -1 |
| 6.20 | QSARToolbox | 0 » -1 |
| 6.20 | QSARToolbox | 0 » -1 |