Molecule ID: mol5606
SMILES: CCOc1ccccc1C(=O)O
InChI: InChI=1S/C9H10O3/c1-2-12-8-6-4-3-5-7(8)9(10)11/h3-6H,2H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | QSARToolbox | 0 » -1 |
| 4.18 | OCHEM | 0 » -1 |
| 4.18 | Datawarrior | 0 » -1 |
| 4.21 | OCHEM | 0 » -1 |
| 4.21 | QSARToolbox | 0 » -1 |
| 4.21 | QSARToolbox | 0 » -1 |
| 4.21 | QSARToolbox | 0 » -1 |