Molecule ID: mol10886
SMILES: O=C(O)CCc1ccccc1O
InChI: InChI=1S/C9H10O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-4,10H,5-6H2,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.75 | IUPAC digitized pKa | 0 » -1 |
| 4.75 | OCHEM | 0 » -1 |
| 4.75 | QSARToolbox | 0 » -1 |
| 4.75 | QSARToolbox | 0 » -1 |
| 4.75 | AttenGpKa training set | 0 » -1 |