Molecule ID: mol14473
SMILES: CC(C)(C(=O)O)C(C(N)=O)c1ccccc1
InChI: InChI=1S/C12H15NO3/c1-12(2,11(15)16)9(10(13)14)8-6-4-3-5-7-8/h3-7,9H,1-2H3,(H2,13,14)(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.80 | Datawarrior | 0 » -1 |
| 4.80 | AttenGpKa training set | 0 » -1 |
| 4.80 | QSARToolbox | 0 » -1 |
| 4.80 | OCHEM | 0 » -1 |