Molecule ID: mol26143
SMILES: CCN(CC)CCNc1ccnc2cc(F)ccc12
InChI: InChI=1S/C15H20FN3/c1-3-19(4-2)10-9-18-14-7-8-17-15-11-12(16)5-6-13(14)15/h5-8,11H,3-4,9-10H2,1-2H3,(H,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.62 | AttenGpKa training set | 2 » 1 |
| 9.24 | AttenGpKa training set | 1 » 0 |