Molecule ID: mol7309
SMILES: Nc1cc(N2CCOCC2)nc(N)n1
InChI: InChI=1S/C8H13N5O/c9-6-5-7(12-8(10)11-6)13-1-3-14-4-2-13/h5H,1-4H2,(H4,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -0.35 | Datawarrior | 2 » 1 |
| -0.35 | OCHEM | 2 » 1 |
| 6.73 | Datawarrior | 1 » 0 |
| 6.73 | OCHEM | 1 » 0 |
| 6.73 | QSARToolbox | 1 » 0 |