Molecule ID: mol32186
SMILES: CC(C)(C)c1onc(O)c1CC(N)C(=O)O
InChI: InChI=1S/C10H16N2O4/c1-10(2,3)7-5(8(13)12-16-7)4-6(11)9(14)15/h6H,4,11H2,1-3H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.27 | OCHEM | 1 » 0 |
| 2.46 | QSARToolbox | 1 » 0 |
| 2.46 | QSARToolbox | 1 » 0 |
| 4.76 | OCHEM | 1 » 0 |
| 5.26 | QSARToolbox | 1 » 0 |
| 10.17 | OCHEM | -1 » -2 |