Molecule ID: mol5007
SMILES: CCN(CC)CCCNc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C20H25N3/c1-3-23(4-2)15-9-14-21-20-16-10-5-7-12-18(16)22-19-13-8-6-11-17(19)20/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,21,22)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.46 | QSARToolbox | 2 » 1 |
| 8.53 | OCHEM | 2 » 1 |
| 8.53 | Datawarrior | 2 » 1 |