Molecule ID: mol4928
SMILES: Cc1nc(N)c2cnn(-c3ccccc3)c2n1
InChI: InChI=1S/C12H11N5/c1-8-15-11(13)10-7-14-17(12(10)16-8)9-5-3-2-4-6-9/h2-7H,1H3,(H2,13,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.48 | IUPAC digitized pKa | 1 » 0 |
| 4.52 | QSARToolbox | 1 » 0 |
| 4.52 | Datawarrior | 1 » 0 |
| 4.52 | OCHEM | 1 » 0 |