Molecule ID: mol12546
SMILES: Cc1ccc(OCC(=O)O)cc1
InChI: InChI=1S/C9H10O3/c1-7-2-4-8(5-3-7)12-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.15 | Datawarrior | 0 » -1 |
| 3.15 | QSARToolbox | 0 » -1 |
| 3.15 | OCHEM | 0 » -1 |
| 3.17 | AttenGpKa training set | 0 » -1 |
| 3.21 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.21 | OCHEM | 0 » -1 |
| 3.21 | OCHEM | 0 » -1 |
| 3.21 | OCHEM | 0 » -1 |
| 3.21 | OCHEM | 0 » -1 |
| 3.21 | OCHEM | 0 » -1 |
| 3.21 | OCHEM | 0 » -1 |
| 3.21 | OCHEM | 0 » -1 |
| 3.21 | QSARToolbox | 0 » -1 |
| 3.21 | QSARToolbox | 0 » -1 |