Molecule ID: mol4269
SMILES: Nc1nc(N)nc(N(CCO)CCO)n1
InChI: InChI=1S/C7H14N6O2/c8-5-10-6(9)12-7(11-5)13(1-3-14)2-4-15/h14-15H,1-4H2,(H4,8,9,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.10 | OCHEM | 1 » 0 |
| 5.10 | Datawarrior | 1 » 0 |
| 5.11 | IUPAC digitized pKa | 1 » 0 |
| 5.11 | AttenGpKa training set | 1 » 0 |
| 8.66 | QSARToolbox | 1 » 0 |
| 8.89 | QSARToolbox | 1 » 0 |