Molecule ID: mol27576
SMILES: COC(=O)CN1C(=O)NC(=O)C1Cc1ccccc1
InChI: InChI=1S/C13H14N2O4/c1-19-11(16)8-15-10(12(17)14-13(15)18)7-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.81 | QSARToolbox | 0 » -1 |
| 7.81 | AttenGpKa training set | 0 » -1 |