Molecule ID: mol15786
SMILES: CC(C)CCNc1ncnc2[nH]ncc12
InChI: InChI=1S/C10H15N5/c1-7(2)3-4-11-9-8-5-14-15-10(8)13-6-12-9/h5-7H,3-4H2,1-2H3,(H2,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.62 | QSARToolbox | 1 » 0 |
| 4.62 | OCHEM | 1 » 0 |
| 4.62 | Datawarrior | 1 » 0 |