Molecule ID: mol4957
SMILES: CC(C)Nc1ncnc2c1cnn2C
InChI: InChI=1S/C9H13N5/c1-6(2)13-8-7-4-12-14(3)9(7)11-5-10-8/h4-6H,1-3H3,(H,10,11,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.18 | IUPAC digitized pKa | 1 » 0 |
| 4.22 | QSARToolbox | 1 » 0 |
| 4.22 | OCHEM | 1 » 0 |
| 4.22 | Datawarrior | 1 » 0 |