Molecule ID: mol5626
SMILES: Cc1cc(C)c(C(=O)O)c(C)c1
InChI: InChI=1S/C10H12O2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.10 | QSARToolbox | 0 » -1 |
| 3.10 | QSARToolbox | 0 » -1 |
| 3.33 | IUPAC digitized pKa | 0 » -1 |
| 3.39 | IUPAC digitized pKa | 0 » -1 |
| 3.43 | QSARToolbox | 0 » -1 |
| 3.45 | IUPAC digitized pKa | 0 » -1 |
| 3.45 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 3.45 | OCHEM | 0 » -1 |
| 3.45 | OCHEM | 0 » -1 |
| 3.48 | AttenGpKa training set | 0 » -1 |
| 3.50 | OCHEM | 0 » -1 |
| 3.50 | IUPAC digitized pKa | 0 » -1 |
| 3.54 | IUPAC digitized pKa | 0 » -1 |
| 3.55 | QSARToolbox | 0 » -1 |
| 3.55 | IUPAC digitized pKa | 0 » -1 |
| 3.58 | IUPAC digitized pKa | 0 » -1 |