Molecule ID: mol14118
SMILES: O=C(O)c1ccc(CO)cc1
InChI: InChI=1S/C8H8O3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.18 | OCHEM | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | Datawarrior | 0 » -1 |
| 4.18 | AttenGpKa training set | 0 » -1 |