Molecule ID: mol6492
SMILES: COC(=O)c1cc(O)cc(C(=O)OC)n1
InChI: InChI=1S/C9H9NO5/c1-14-8(12)6-3-5(11)4-7(10-6)9(13)15-2/h3-4H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | QSARToolbox | 1 » 0 |
| 6.25 | IUPAC digitized pKa | 0 » -1 |
| 6.25 | QSARToolbox | 0 » -1 |