Molecule ID: mol15517
SMILES: CN1CCCC1c1cncc2[nH]c3ccccc3c12
InChI: InChI=1S/C16H17N3/c1-19-8-4-7-15(19)12-9-17-10-14-16(12)11-5-2-3-6-13(11)18-14/h2-3,5-6,9-10,15,18H,4,7-8H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.17 | Datawarrior | 2 » 1 |
| 5.17 | QSARToolbox | 2 » 1 |
| 8.02 | Datawarrior | 1 » 0 |
| 8.02 | OCHEM | 1 » 0 |