Molecule ID: mol4277
SMILES: OCCN(CCO)c1nc(N(CCO)CCO)nc(N(CCO)CCO)n1
InChI: InChI=1S/C15H30N6O6/c22-7-1-19(2-8-23)13-16-14(20(3-9-24)4-10-25)18-15(17-13)21(5-11-26)6-12-27/h22-27H,1-12H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.70 | IUPAC digitized pKa | 1 » 0 |
| 4.70 | AttenGpKa training set | 1 » 0 |
| 9.30 | QSARToolbox | 1 » 0 |