Molecule ID: mol27578
SMILES: CN1C(=O)N(CC(=O)O)C(=O)C1Cc1ccccc1
InChI: InChI=1S/C13H14N2O4/c1-14-10(7-9-5-3-2-4-6-9)12(18)15(13(14)19)8-11(16)17/h2-6,10H,7-8H2,1H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.05 | QSARToolbox | 0 » -1 |
| 3.05 | AttenGpKa training set | 0 » -1 |