Molecule ID: mol4939
SMILES: Nc1nc(N)c2cnn(-c3ccccc3)c2n1
InChI: InChI=1S/C11H10N6/c12-9-8-6-14-17(7-4-2-1-3-5-7)10(8)16-11(13)15-9/h1-6H,(H4,12,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.45 | IUPAC digitized pKa | 1 » 0 |
| 4.49 | QSARToolbox | 1 » 0 |
| 4.49 | OCHEM | 1 » 0 |
| 4.49 | Datawarrior | 1 » 0 |