Molecule ID: mol5610
SMILES: CCc1ccc(C(=O)O)cc1
InChI: InChI=1S/C9H10O2/c1-2-7-3-5-8(6-4-7)9(10)11/h3-6H,2H2,1H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | QSARToolbox | 0 » -1 |
| 4.35 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | OCHEM | 0 » -1 |
| 4.35 | AttenGpKa training set | 0 » -1 |