Molecule ID: mol4260
SMILES: Nc1nc(N(CCO)CCO)nc(N(CCO)CCO)n1
InChI: InChI=1S/C11H22N6O4/c12-9-13-10(16(1-5-18)2-6-19)15-11(14-9)17(3-7-20)4-8-21/h18-21H,1-8H2,(H2,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.15 | IUPAC digitized pKa | 1 » 0 |
| 5.15 | Datawarrior | 1 » 0 |
| 5.15 | AttenGpKa training set | 1 » 0 |
| 5.15 | OCHEM | 1 » 0 |
| 8.85 | QSARToolbox | 1 » 0 |