Molecule ID: mol4845
SMILES: Cc1ncc2nc(C)c(C)nc2n1
InChI: InChI=1S/C9H10N4/c1-5-6(2)12-9-8(11-5)4-10-7(3)13-9/h4H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.76 | QSARToolbox | 1 » 0 |
| 3.76 | IUPAC digitized pKa | 1 » 0 |
| 3.76 | Datawarrior | 1 » 0 |
| 3.76 | OCHEM | 1 » 0 |