Molecule ID: mol267
SMILES: CN(C)C(C)(C)CCCc1ccc(C(C)(C)C)cc1
InChI: InChI=1S/C18H31N/c1-17(2,3)16-12-10-15(11-13-16)9-8-14-18(4,5)19(6)7/h10-13H,8-9,14H2,1-7H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 10.40 | OCHEM | 1 » 0 |
| 10.40 | Baltruschat ChEMBL | 1 » 0 |
| 10.40 | Settimo | 1 » 0 |
| 10.40 | AttenGpKa training set | 1 » 0 |