Molecule ID: mol29377
SMILES: CCC(NC(=O)NC)(C(=O)O)c1ccccc1
InChI: InChI=1S/C12H16N2O3/c1-3-12(10(15)16,14-11(17)13-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,15,16)(H2,13,14,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | QSARToolbox | 0 » -1 |
| 3.03 | AttenGpKa training set | 0 » -1 |