Molecule ID: mol1737
SMILES: CC(=O)c1cccc(C(=O)O)c1
InChI: InChI=1S/C9H8O3/c1-6(10)7-3-2-4-8(5-7)9(11)12/h2-5H,1H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.81 | AttenGpKa training set | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | IUPAC digitized pKa | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | QSARToolbox | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.83 | Hunt | 0 » -1 |
| 3.83 | OCHEM | 0 » -1 |
| 3.84 | OCHEM | 0 » -1 |
| 3.84 | Datawarrior | 0 » -1 |