Molecule ID: mol6491
SMILES: COC(=O)c1ccc(O)nc1C(=O)OC
InChI: InChI=1S/C9H9NO5/c1-14-8(12)5-3-4-6(11)10-7(5)9(13)15-2/h3-4H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.53 | QSARToolbox | 1 » 0 |
| 6.91 | QSARToolbox | 0 » -1 |
| 6.91 | IUPAC digitized pKa | 0 » -1 |