Molecule ID: mol4799
SMILES: CN(C)c1cnc2ncncc2n1
InChI: InChI=1S/C8H9N5/c1-13(2)7-4-10-8-6(12-7)3-9-5-11-8/h3-5H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.29 | IUPAC digitized pKa | 1 » 0 |
| 4.31 | QSARToolbox | 1 » 0 |
| 4.31 | AttenGpKa training set | 1 » 0 |