Molecule ID: mol20529
SMILES: CN(C)CCC1(Cc2ccc(C(C)(C)C)cc2)COC1
InChI: InChI=1S/C18H29NO/c1-17(2,3)16-8-6-15(7-9-16)12-18(13-20-14-18)10-11-19(4)5/h6-9H,10-14H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | QSARToolbox | 1 » 0 |
| 9.20 | Baltruschat ChEMBL | 1 » 0 |
| 9.20 | Baltruschat ChEMBL | 1 » 0 |
| 9.20 | AttenGpKa training set | 1 » 0 |