Molecule ID: mol9770
SMILES: CCC1(C)OC(=O)NC1=O
InChI: InChI=1S/C6H9NO3/c1-3-6(2)4(8)7-5(9)10-6/h3H2,1-2H3,(H,7,8,9)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.90 | QSARToolbox | 0 » -1 |
| 6.00 | Datawarrior | 0 » -1 |
| 6.00 | OCHEM | 0 » -1 |
| 6.10 | QSARToolbox | 0 » -1 |
| 6.10 | QSARToolbox | 0 » -1 |
| 6.10 | AttenGpKa training set | 0 » -1 |