Molecule ID: mol10880
SMILES: COc1cc(C(=O)O)ccc1C
InChI: InChI=1S/C9H10O3/c1-6-3-4-7(9(10)11)5-8(6)12-2/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.13 | Datawarrior | 0 » -1 |
| 4.13 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | AttenGpKa training set | 0 » -1 |
| 4.13 | OCHEM | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |
| 4.13 | QSARToolbox | 0 » -1 |