Molecule ID: mol22920
SMILES: CN(C)c1ccc(C(=O)O)c(C(=O)O)c1
InChI: InChI=1S/C10H11NO4/c1-11(2)6-3-4-7(9(12)13)8(5-6)10(14)15/h3-5H,1-2H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | AttenGpKa training set | 0 » -1 |
| 5.80 | AttenGpKa training set | -1 » -2 |
| 5.80 | QSARToolbox | -1 » -2 |