Molecule ID: mol268
SMILES: CN(C)CC(C)(C)CCc1ccc(C(C)(C)C)cc1
InChI: InChI=1S/C18H31N/c1-17(2,3)16-10-8-15(9-11-16)12-13-18(4,5)14-19(6)7/h8-11H,12-14H2,1-7H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.40 | OCHEM | 1 » 0 |
| 9.40 | Baltruschat ChEMBL | 1 » 0 |
| 9.40 | Settimo | 1 » 0 |
| 9.40 | AttenGpKa training set | 1 » 0 |