Molecule ID: mol12551
SMILES: COCc1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H10O3/c1-12-6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.18 | OCHEM | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | QSARToolbox | 0 » -1 |
| 4.18 | Datawarrior | 0 » -1 |
| 4.18 | OCHEM | 0 » -1 |
| 4.18 | AttenGpKa training set | 0 » -1 |