Molecule ID: mol1903
SMILES: Cc1c(C)c(O)c(C)c(C)c1O
InChI: InChI=1S/C10H14O2/c1-5-6(2)10(12)8(4)7(3)9(5)11/h11-12H,1-4H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.25 | IUPAC digitized pKa | 0 » -1 |
| 11.25 | Hunt | 0 » -1 |
| 11.30 | Datawarrior | 0 » -1 |
| 11.30 | OCHEM | 0 » -1 |
| 11.35 | IUPAC digitized pKa | 0 » -1 |
| 11.35 | QSARToolbox | -1 » -2 |
| 11.51 | IUPAC digitized pKa | 0 » -1 |
| 11.55 | OCHEM | -1 » -2 |
| 11.69 | AttenGpKa training set | -1 » -2 |
| 12.50 | OCHEM | -1 » -2 |
| 12.70 | IUPAC digitized pKa | -1 » -2 |
| 12.79 | Datawarrior | -1 » -2 |
| 12.90 | IUPAC digitized pKa | -1 » -2 |
| 12.95 | AttenGpKa training set | -1 » -2 |
| 13.20 | IUPAC digitized pKa | -1 » -2 |