Molecule ID: mol831
SMILES: CC(C)(C)c1cc(O)cc(C(C)(C)C)c1
InChI: InChI=1S/C14H22O/c1-13(2,3)10-7-11(14(4,5)6)9-12(15)8-10/h7-9,15H,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.02 | IUPAC digitized pKa | 0 » -1 |
| 10.07 | IUPAC digitized pKa | 0 » -1 |
| 10.12 | IUPAC digitized pKa | 0 » -1 |
| 10.18 | IUPAC digitized pKa | 0 » -1 |
| 10.23 | IUPAC digitized pKa | 0 » -1 |
| 10.29 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 10.29 | Hunt | 0 » -1 |
| 10.29 | OCHEM | 0 » -1 |
| 10.29 | AttenGpKa training set | 0 » -1 |
| 10.29 | IUPAC digitized pKa | 0 » -1 |
| 10.36 | IUPAC digitized pKa | 0 » -1 |
| 10.43 | IUPAC digitized pKa | 0 » -1 |
| 10.51 | IUPAC digitized pKa | 0 » -1 |