Molecule ID: mol10866
SMILES: Cc1ccc(C)c(C(=O)O)c1
InChI: InChI=1S/C9H10O2/c1-6-3-4-7(2)8(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.91 | IUPAC digitized pKa | 0 » -1 |
| 3.95 | IUPAC digitized pKa | 0 » -1 |
| 3.97 | Datawarrior | 0 » -1 |
| 3.97 | OCHEM | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | QSARToolbox | 0 » -1 |
| 3.98 | AttenGpKa training set | 0 » -1 |
| 3.99 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 3.99 | OCHEM | 0 » -1 |
| 4.00 | IUPAC digitized pKa | 0 » -1 |
| 4.02 | IUPAC digitized pKa | 0 » -1 |
| 4.02 | OCHEM | 0 » -1 |
| 4.04 | IUPAC digitized pKa | 0 » -1 |
| 4.04 | IUPAC digitized pKa | 0 » -1 |
| 4.07 | IUPAC digitized pKa | 0 » -1 |
| 4.10 | QSARToolbox | 0 » -1 |
| 4.40 | QSARToolbox | 0 » -1 |