Molecule ID: mol4283
SMILES: OCCCNc1nc(NCCCO)nc(NCCCO)n1
InChI: InChI=1S/C12H24N6O3/c19-7-1-4-13-10-16-11(14-5-2-8-20)18-12(17-10)15-6-3-9-21/h19-21H,1-9H2,(H3,13,14,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.18 | OCHEM | 1 » 0 |
| 5.48 | IUPAC digitized pKa | 1 » 0 |
| 5.48 | Datawarrior | 1 » 0 |
| 5.48 | OCHEM | 1 » 0 |
| 5.48 | AttenGpKa training set | 1 » 0 |
| 8.52 | QSARToolbox | 1 » 0 |