Molecule ID: mol20528
SMILES: CN(C)CC1(CCc2ccc(C(C)(C)C)cc2)COC1
InChI: InChI=1S/C18H29NO/c1-17(2,3)16-8-6-15(7-9-16)10-11-18(12-19(4)5)13-20-14-18/h6-9H,10-14H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | Baltruschat ChEMBL | 1 » 0 |
| 8.00 | Baltruschat ChEMBL | 1 » 0 |
| 8.00 | QSARToolbox | 1 » 0 |
| 8.00 | AttenGpKa training set | 1 » 0 |