Molecule ID: mol6493
SMILES: COCc1ccc(O)nc1COC
InChI: InChI=1S/C9H13NO3/c1-12-5-7-3-4-9(11)10-8(7)6-13-2/h3-4H,5-6H2,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.55 | QSARToolbox | 1 » 0 |
| 11.06 | IUPAC digitized pKa | 0 » -1 |
| 11.60 | QSARToolbox | 0 » -1 |