Molecule ID: mol4924
SMILES: COc1nc(N)c2cnn(C)c2n1
InChI: InChI=1S/C7H9N5O/c1-12-6-4(3-9-12)5(8)10-7(11-6)13-2/h3H,1-2H3,(H2,8,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.62 | IUPAC digitized pKa | 1 » 0 |
| 3.66 | Datawarrior | 1 » 0 |
| 3.66 | QSARToolbox | 1 » 0 |
| 3.66 | OCHEM | 1 » 0 |