Molecule ID: mol4284
SMILES: COCNc1nc(NCOC)nc(NCOC)n1
InChI: InChI=1S/C9H18N6O3/c1-16-4-10-7-13-8(11-5-17-2)15-9(14-7)12-6-18-3/h4-6H2,1-3H3,(H3,10,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.20 | OCHEM | 1 » 0 |
| 3.20 | OCHEM | 1 » 0 |
| 3.60 | IUPAC digitized pKa | 1 » 0 |
| 3.60 | IUPAC digitized pKa | 1 » 0 |
| 3.60 | AttenGpKa training set | 1 » 0 |