Molecule ID: mol25540
SMILES: COC(=O)c1[nH]c(C)c(CCC(=O)O)c1C
InChI: InChI=1S/C11H15NO4/c1-6-8(4-5-9(13)14)7(2)12-10(6)11(15)16-3/h12H,4-5H2,1-3H3,(H,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.68 | QSARToolbox | 0 » -1 |
| 4.69 | AttenGpKa training set | 0 » -1 |
| 4.70 | QSARToolbox | 0 » -1 |