Molecule ID: mol12541
SMILES: COc1cc(C(C)=O)ccc1O
InChI: InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.65 | Datawarrior | 0 » -1 |
| 7.65 | OCHEM | 0 » -1 |
| 7.81 | QSARToolbox | 0 » -1 |
| 8.08 | QSARToolbox | 0 » -1 |
| 8.38 | QSARToolbox | 0 » -1 |
| 8.38 | QSARToolbox | 0 » -1 |
| 8.74 | QSARToolbox | 0 » -1 |