Molecule ID: mol29694
SMILES: Cc1cc(C(C)(C)C)c(O)c(C)c1CC1=NCCN1
InChI: InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.61 | AttenGpKa training set | 1 » 0 |
| 10.62 | AttenGpKa training set | 1 » 0 |
| 12.03 | AttenGpKa training set | 0 » -1 |