Molecule ID: mol12092
SMILES: CN(C)Cc1cc(C(C)(C)C)cc(CN(C)C)c1O
InChI: InChI=1S/C16H28N2O/c1-16(2,3)14-8-12(10-17(4)5)15(19)13(9-14)11-18(6)7/h8-9,19H,10-11H2,1-7H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.30 | IUPAC digitized pKa | 2 » 1 |
| 6.30 | Datawarrior | 2 » 1 |
| 6.30 | AttenGpKa training set | 2 » 1 |
| 6.30 | QSARToolbox | 2 » 1 |
| 6.30 | OCHEM | 2 » 1 |