Molecule ID: mol2093
SMILES: Cc1ccccc1CCC(=O)O
InChI: InChI=1S/C10H12O2/c1-8-4-2-3-5-9(8)6-7-10(11)12/h2-5H,6-7H2,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.66 | QSARToolbox | 0 » -1 |
| 4.66 | QSARToolbox | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | Hunt | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | OCHEM | 0 » -1 |
| 4.66 | AttenGpKa training set | 0 » -1 |