Molecule ID: mol975
SMILES: CC(C)Oc1ccc(C(=O)O)cc1
InChI: InChI=1S/C10H12O3/c1-7(2)13-9-5-3-8(4-6-9)10(11)12/h3-7H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.46 | QSARToolbox | 0 » -1 |
| 4.46 | QSARToolbox | 0 » -1 |
| 4.57 | Datawarrior | 0 » -1 |
| 4.57 | OCHEM | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | QSARToolbox | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 4.68 | Hunt | 0 » -1 |
| 4.68 | OCHEM | 0 » -1 |
| 4.68 | AttenGpKa training set | 0 » -1 |