Molecule ID: mol4399
SMILES: CCN(CC)CCCC(C)Nc1ccnc2ccccc12
InChI: InChI=1S/C18H27N3/c1-4-21(5-2)14-8-9-15(3)20-18-12-13-19-17-11-7-6-10-16(17)18/h6-7,10-13,15H,4-5,8-9,14H2,1-3H3,(H,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.81 | Datawarrior | 2 » 1 |
| 8.82 | IUPAC digitized pKa | 2 » 1 |
| 8.85 | IUPAC digitized pKa | 2 » 1 |
| 8.85 | QSARToolbox | 2 » 1 |
| 9.05 | IUPAC digitized pKa | 2 » 1 |
| 9.52 | OCHEM | 1 » 0 |
| 10.22 | Datawarrior | 1 » 0 |
| 10.25 | IUPAC digitized pKa | 1 » 0 |
| 10.25 | QSARToolbox | 1 » 0 |