Molecule ID: mol23031
SMILES: CC(=O)N(C)c1cc(C(=O)O)ccc1C(=O)O
InChI: InChI=1S/C11H11NO5/c1-6(13)12(2)9-5-7(10(14)15)3-4-8(9)11(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.85 | AttenGpKa training set | 0 » -1 |
| 4.31 | AttenGpKa training set | -1 » -2 |