Molecule ID: mol7812
SMILES: Cc1cc(O)nc2c1CCO2
InChI: InChI=1S/C8H9NO2/c1-5-4-7(10)9-8-6(5)2-3-11-8/h4H,2-3H2,1H3,(H,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.42 | Datawarrior | 1 » 0 |
| 2.42 | OCHEM | 1 » 0 |
| 8.44 | OCHEM | 0 » -1 |
| 8.44 | Datawarrior | 0 » -1 |
| 8.92 | IUPAC digitized pKa | 0 » -1 |