Molecule ID: mol10868
SMILES: Cc1ccc(C(=O)O)cc1C
InChI: InChI=1S/C9H10O2/c1-6-3-4-8(9(10)11)5-7(6)2/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.41 | OCHEM | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | QSARToolbox | 0 » -1 |
| 4.41 | Datawarrior | 0 » -1 |
| 4.41 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.41 | OCHEM | 0 » -1 |
| 4.41 | OCHEM | 0 » -1 |
| 4.46 | OCHEM | 0 » -1 |
| 4.50 | IUPAC digitized pKa | 0 » -1 |
| 4.50 | QSARToolbox | 0 » -1 |