Molecule ID: mol1298
SMILES: COc1ccccc1/C=C/C(=O)O
InChI: InChI=1S/C10H10O3/c1-13-9-5-3-2-4-8(9)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | OCHEM | 0 » -1 |
| 4.46 | Hunt | 0 » -1 |
| 4.46 | AttenGpKa training set | 0 » -1 |
| 4.46 | QSARToolbox | 0 » -1 |
| 4.57 | Datawarrior | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |