Molecule ID: mol14885
SMILES: c1cnc2c(c1)c1c(c3cccnc32)CCCC1
InChI: InChI=1S/C16H14N2/c1-2-6-12-11(5-1)13-7-3-9-17-15(13)16-14(12)8-4-10-18-16/h3-4,7-10H,1-2,5-6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.30 | Datawarrior | 1 » 0 |
| 5.30 | AttenGpKa training set | 1 » 0 |
| 5.30 | QSARToolbox | 1 » 0 |
| 5.30 | OCHEM | 1 » 0 |