Molecule ID: mol4281
SMILES: OCCNc1nc(NCCO)nc(NCCO)n1
InChI: InChI=1S/C9H18N6O3/c16-4-1-10-7-13-8(11-2-5-17)15-9(14-7)12-3-6-18/h16-18H,1-6H2,(H3,10,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.19 | Datawarrior | 1 » 0 |
| 5.19 | OCHEM | 1 » 0 |
| 5.20 | IUPAC digitized pKa | 1 » 0 |
| 5.20 | AttenGpKa training set | 1 » 0 |
| 8.80 | QSARToolbox | 1 » 0 |