Molecule ID: mol20527
SMILES: CN(C)C1(CCCc2ccc(C(C)(C)C)cc2)COC1
InChI: InChI=1S/C18H29NO/c1-17(2,3)16-10-8-15(9-11-16)7-6-12-18(19(4)5)13-20-14-18/h8-11H,6-7,12-14H2,1-5H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.20 | QSARToolbox | 1 » 0 |
| 7.20 | Baltruschat ChEMBL | 1 » 0 |
| 7.20 | Baltruschat ChEMBL | 1 » 0 |
| 7.20 | AttenGpKa training set | 1 » 0 |