Molecule ID: mol14886
SMILES: c1cnc2c(c1)ccc1c3c(cnc12)CCCC3
InChI: InChI=1S/C16H14N2/c1-2-6-13-12(4-1)10-18-16-14(13)8-7-11-5-3-9-17-15(11)16/h3,5,7-10H,1-2,4,6H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.66 | OCHEM | 1 » 0 |
| 5.66 | QSARToolbox | 1 » 0 |
| 5.66 | Datawarrior | 1 » 0 |
| 5.66 | AttenGpKa training set | 1 » 0 |