Molecule ID: mol1839
SMILES: CC(C)c1cccc(=O)c(O)c1
InChI: InChI=1S/C10H12O2/c1-7(2)8-4-3-5-9(11)10(12)6-8/h3-7H,1-2H3,(H,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.72 | IUPAC digitized pKa | 0 » -1 |
| 7.21 | IUPAC digitized pKa | 0 » -1 |
| 7.21 | OCHEM | 0 » -1 |
| 7.21 | Hunt | 0 » -1 |
| 7.21 | OCHEM | 0 » -1 |
| 7.21 | AttenGpKa training set | 0 » -1 |
| 7.21 | QSARToolbox | 0 » -1 |
| 7.21 | QSARToolbox | 0 » -1 |
| 7.21 | QSARToolbox | 0 » -1 |
| 7.22 | OCHEM | 0 » -1 |
| 7.22 | Datawarrior | 0 » -1 |