Molecule ID: mol12720
SMILES: O=C(O)[C@H]1C[C@@H]1c1ccccc1
InChI: InChI=1S/C10H10O2/c11-10(12)9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H,11,12)/t8-,9+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.51 | QSARToolbox | 0 » -1 |
| 4.54 | Datawarrior | 0 » -1 |
| 4.57 | AttenGpKa training set | 0 » -1 |
| 4.57 | QSARToolbox | 0 » -1 |