Molecule ID: mol20796
SMILES: CN(C)CCCCc1ccc(C2(F)COC2)cc1
InChI: InChI=1S/C15H22FNO/c1-17(2)10-4-3-5-13-6-8-14(9-7-13)15(16)11-18-12-15/h6-9H,3-5,10-12H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | QSARToolbox | 1 » 0 |
| 9.90 | Baltruschat ChEMBL | 1 » 0 |
| 9.90 | AttenGpKa training set | 1 » 0 |