Molecule ID: mol29434
SMILES: CC(C)C(N)C(=O)NCC(=O)O
InChI: InChI=1S/C7H14N2O3/c1-4(2)6(8)7(12)9-3-5(10)11/h4,6H,3,8H2,1-2H3,(H,9,12)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | QSARToolbox | 1 » 0 |
| 3.21 | QSARToolbox | 1 » 0 |
| 7.60 | QSARToolbox | 0 » -1 |
| 7.94 | AttenGpKa training set | 0 » -1 |