Molecule ID: mol1179
SMILES: Cc1ccc(/C=C/C(=O)O)cc1
InChI: InChI=1S/C10H10O2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3,(H,11,12)/b7-6+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.56 | QSARToolbox | 0 » -1 |
| 4.56 | Datawarrior | 0 » -1 |
| 4.56 | Hunt | 0 » -1 |
| 4.56 | AttenGpKa training set | 0 » -1 |