Molecule ID: mol15332
SMILES: FC(F)(F)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChI: InChI=1S/C17H19F3N4O/c18-17(19,20)14-12-15(13-4-2-1-3-5-13)22-23-16(14)21-6-7-24-8-10-25-11-9-24/h1-5,12H,6-11H2,(H,21,23)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.44 | Datawarrior | 2 » 1 |
| 6.75 | Datawarrior | 1 » 0 |
| 6.75 | OCHEM | 1 » 0 |
| 6.75 | QSARToolbox | 1 » 0 |