Molecule ID: mol1892
SMILES: CC(C)(C)c1cccc(C(=O)O)c1
InChI: InChI=1S/C11H14O2/c1-11(2,3)9-6-4-5-8(7-9)10(12)13/h4-7H,1-3H3,(H,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.12 | IUPAC digitized pKa | 0 » -1 |
| 4.14 | IUPAC digitized pKa | 0 » -1 |
| 4.17 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | QSARToolbox | 0 » -1 |
| 4.20 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | OCHEM | 0 » -1 |
| 4.20 | IUPAC digitized pKa | 0 » -1 |
| 4.20 | Hunt | 0 » -1 |
| 4.24 | OCHEM | 0 » -1 |
| 4.27 | IUPAC digitized pKa | 0 » -1 |
| 4.28 | AttenGpKa training set | 0 » -1 |
| 4.28 | QSARToolbox | 0 » -1 |
| 4.28 | QSARToolbox | 0 » -1 |
| 6.23 | IUPAC digitized pKa | 0 » -1 |