Molecule ID: mol31442
SMILES: COc1ccc2c(c1)OC(O)C(=O)N2O
InChI: InChI=1S/C9H9NO5/c1-14-5-2-3-6-7(4-5)15-9(12)8(11)10(6)13/h2-4,9,12-13H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.40 | AttenGpKa training set | 0 » -1 |
| 6.92 | QSARToolbox | 0 » -1 |
| 10.10 | QSARToolbox | -1 » -2 |