Molecule ID: mol15207
SMILES: CN(C)CCCNc1ccnc2ccccc12
InChI: InChI=1S/C14H19N3/c1-17(2)11-5-9-15-14-8-10-16-13-7-4-3-6-12(13)14/h3-4,6-8,10H,5,9,11H2,1-2H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.85 | Datawarrior | 2 » 1 |
| 8.85 | OCHEM | 2 » 1 |
| 8.85 | Baltruschat ChEMBL | 2 » 1 |
| 8.85 | QSARToolbox | 2 » 1 |
| 8.85 | OCHEM | 2 » 1 |