Molecule ID: mol2357
SMILES: CC(C)(C)c1cc(Br)cc(C(C)(C)C)c1O
InChI: InChI=1S/C14H21BrO/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8,16H,1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.83 | IUPAC digitized pKa | 0 » -1 |
| 10.83 | OCHEM | 0 » -1 |
| 10.83 | Hunt | 0 » -1 |
| 10.83 | OCHEM | 0 » -1 |
| 10.83 | AttenGpKa training set | 0 » -1 |