Molecule ID: mol15260
SMILES: COc1ccc(O)c(CNC(CO)C(=O)O)c1
InChI: InChI=1S/C11H15NO5/c1-17-8-2-3-10(14)7(4-8)5-12-9(6-13)11(15)16/h2-4,9,12-14H,5-6H2,1H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.10 | OCHEM | 1 » 0 |
| 2.10 | Datawarrior | 1 » 0 |
| 8.30 | Datawarrior | 0 » -1 |
| 8.30 | OCHEM | 0 » -1 |
| 10.40 | QSARToolbox | -1 » -2 |
| 10.40 | Datawarrior | -1 » -2 |