Molecule ID: mol2004
SMILES: CC(C)c1ccc(O)cc1
InChI: InChI=1S/C9H12O/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.04 | IUPAC digitized pKa | 0 » -1 |
| 10.10 | Baltruschat ChEMBL | 0 » -1 |
| 10.20 | QSARToolbox | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.20 | OCHEM | 0 » -1 |
| 10.24 | IUPAC digitized pKa | 0 » -1 |
| 10.24 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.24 | OCHEM | 0 » -1 |
| 10.24 | OCHEM | 0 » -1 |
| 10.24 | Hunt | 0 » -1 |
| 10.24 | OCHEM | 0 » -1 |
| 10.24 | OCHEM | 0 » -1 |
| 10.25 | OCHEM | 0 » -1 |
| 10.25 | AttenGpKa training set | 0 » -1 |
| 10.26 | IUPAC digitized pKa | 0 » -1 |