Molecule ID: mol14770
SMILES: C1COCCOCc2n[nH]c(n2)COCCOCCO1
InChI: InChI=1S/C12H21N3O5/c1-3-17-5-7-19-9-11-13-12(15-14-11)10-20-8-6-18-4-2-16-1/h1-10H2,(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.36 | OCHEM | 1 » 0 |
| 2.36 | Datawarrior | 1 » 0 |
| 9.55 | Datawarrior | 0 » -1 |
| 9.55 | QSARToolbox | 0 » -1 |
| 9.55 | OCHEM | 0 » -1 |