Molecule ID: mol1113
SMILES: Cc1ccccc1CC(=O)O
InChI: InChI=1S/C9H10O2/c1-7-4-2-3-5-8(7)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | AttenGpKa training set | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | Hunt | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |