Molecule ID: mol13820
SMILES: Nc1ncnc2c1cnn2CCO
InChI: InChI=1S/C7H9N5O/c8-6-5-3-11-12(1-2-13)7(5)10-4-9-6/h3-4,13H,1-2H2,(H2,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | QSARToolbox | 1 » 0 |
| 4.29 | Datawarrior | 1 » 0 |
| 4.29 | OCHEM | 1 » 0 |