Molecule ID: mol4083
SMILES: CCOC(=O)CNc1nc(OCC)nc(C(=O)OCC)c1N
InChI: InChI=1S/C13H20N4O5/c1-4-20-8(18)7-15-11-9(14)10(12(19)21-5-2)16-13(17-11)22-6-3/h4-7,14H2,1-3H3,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.58 | IUPAC digitized pKa | 1 » 0 |
| 4.58 | AttenGpKa training set | 1 » 0 |