Molecule ID: mol29460
SMILES: CC(C)CC(N)C(=O)NC(CC(C)C)C(=O)O
InChI: InChI=1S/C12H24N2O3/c1-7(2)5-9(13)11(15)14-10(12(16)17)6-8(3)4/h7-10H,5-6,13H2,1-4H3,(H,14,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.35 | QSARToolbox | 1 » 0 |
| 3.45 | QSARToolbox | 1 » 0 |
| 8.40 | AttenGpKa training set | 0 » -1 |