Molecule ID: mol266
SMILES: CN(C)CCCC(C)(C)c1ccc(C(C)(C)C)cc1
InChI: InChI=1S/C18H31N/c1-17(2,3)15-9-11-16(12-10-15)18(4,5)13-8-14-19(6)7/h9-12H,8,13-14H2,1-7H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.80 | OCHEM | 1 » 0 |
| 9.80 | Baltruschat ChEMBL | 1 » 0 |
| 9.80 | Settimo | 1 » 0 |
| 9.80 | AttenGpKa training set | 1 » 0 |