Molecule ID: mol147
SMILES: CN(C)CCCC1(c2ccc(F)cc2)OCc2cc(C#N)ccc21
InChI: InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | Baltruschat ChEMBL | 1 » 0 |
| 9.31 | OCHEM | 1 » 0 |
| 9.38 | OCHEM | 1 » 0 |
| 9.38 | OCHEM | 1 » 0 |
| 9.38 | Baltruschat ChEMBL | 1 » 0 |
| 9.38 | Settimo | 1 » 0 |
| 9.38 | Settimo | 1 » 0 |
| 9.50 | Baltruschat ChEMBL | 1 » 0 |
| 9.70 | Baltruschat ChEMBL | 1 » 0 |
| 9.72 | Baltruschat ChEMBL | 1 » 0 |