Molecule ID: mol117
SMILES: CC(C)(C)NCC(O)COc1ccccc1C1CCCC1
InChI: InChI=1S/C18H29NO2/c1-18(2,3)19-12-15(20)13-21-17-11-7-6-10-16(17)14-8-4-5-9-14/h6-7,10-11,14-15,19-20H,4-5,8-9,12-13H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.26 | QSARToolbox | 1 » 0 |
| 9.30 | AttenGpKa training set | 1 » 0 |
| 9.92 | OCHEM | 1 » 0 |
| 9.92 | AvLiLuMoVe | 1 » 0 |
| 9.92 | Settimo | 1 » 0 |
| 9.92 | QSARToolbox | 1 » 0 |