Molecule ID: mol4263
SMILES: Nc1nc(NCCO)nc(NCCO)n1
InChI: InChI=1S/C7H14N6O2/c8-5-11-6(9-1-3-14)13-7(12-5)10-2-4-15/h14-15H,1-4H2,(H4,8,9,10,11,12,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.18 | OCHEM | 1 » 0 |
| 5.18 | IUPAC digitized pKa | 1 » 0 |
| 5.18 | Datawarrior | 1 » 0 |
| 5.18 | AttenGpKa training set | 1 » 0 |
| 8.82 | QSARToolbox | 1 » 0 |