Molecule ID: mol12518
SMILES: CC(C)c1cccc(C(=O)O)c1
InChI: InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | QSARToolbox | 0 » -1 |
| 4.27 | Datawarrior | 0 » -1 |
| 4.27 | OCHEM | 0 » -1 |
| 4.29 | AttenGpKa training set | 0 » -1 |