Molecule ID: mol29441
SMILES: CC(C)CC(NC(=O)C(C)N)C(=O)O
InChI: InChI=1S/C9H18N2O3/c1-5(2)4-7(9(13)14)11-8(12)6(3)10/h5-7H,4,10H2,1-3H3,(H,11,12)(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.35 | QSARToolbox | 1 » 0 |
| 8.51 | AttenGpKa training set | 0 » -1 |