Molecule ID: mol4706
SMILES: CC(=O)N1CCNc2ncnc(C)c21
InChI: InChI=1S/C9H12N4O/c1-6-8-9(12-5-11-6)10-3-4-13(8)7(2)14/h5H,3-4H2,1-2H3,(H,10,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.23 | IUPAC digitized pKa | 1 » 0 |
| 5.26 | Datawarrior | 1 » 0 |
| 5.26 | OCHEM | 1 » 0 |
| 5.26 | QSARToolbox | 1 » 0 |