Molecule ID: mol15131
SMILES: c1cnc2c(c1)ccc1c3c(cnc12)CCC3
InChI: InChI=1S/C15H12N2/c1-3-11-9-17-15-13(12(11)5-1)7-6-10-4-2-8-16-14(10)15/h2,4,6-9H,1,3,5H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.78 | Datawarrior | 1 » 0 |
| 5.78 | AttenGpKa training set | 1 » 0 |
| 5.78 | OCHEM | 1 » 0 |
| 5.78 | QSARToolbox | 1 » 0 |