Molecule ID: mol450
SMILES: CC(C)c1ccccc1O
InChI: InChI=1S/C9H12O/c1-7(2)8-5-3-4-6-9(8)10/h3-7,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.31 | IUPAC digitized pKa | 0 » -1 |
| 10.33 | OCHEM | 0 » -1 |
| 10.34 | IUPAC digitized pKa | 0 » -1 |
| 10.40 | Baltruschat ChEMBL | 0 » -1 |
| 10.44 | AttenGpKa training set | 0 » -1 |
| 10.47 | IUPAC digitized pKa | 0 » -1 |
| 10.47 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.47 | OCHEM | 0 » -1 |
| 10.47 | OCHEM | 0 » -1 |
| 10.47 | Hunt | 0 » -1 |
| 10.47 | OCHEM | 0 » -1 |
| 10.49 | IUPAC digitized pKa | 0 » -1 |
| 10.50 | OCHEM | 0 » -1 |
| 10.50 | OCHEM | 0 » -1 |