Molecule ID: mol14120
SMILES: O=C(O)c1ccccc1CO
InChI: InChI=1S/C8H8O3/c9-5-6-3-1-2-4-7(6)8(10)11/h1-4,9H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.84 | OCHEM | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | QSARToolbox | 0 » -1 |
| 3.84 | Datawarrior | 0 » -1 |
| 3.94 | QSARToolbox | 0 » -1 |