Molecule ID: mol12547
SMILES: Cc1ccccc1OCC(=O)O
InChI: InChI=1S/C9H10O3/c1-7-4-2-3-5-8(7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.17 | Datawarrior | 0 » -1 |
| 3.17 | QSARToolbox | 0 » -1 |
| 3.17 | OCHEM | 0 » -1 |
| 3.20 | AttenGpKa training set | 0 » -1 |
| 3.23 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | OCHEM | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |
| 3.23 | QSARToolbox | 0 » -1 |