Molecule ID: mol4931
SMILES: Cn1ncc2c(Nc3ccccc3)ncnc21
InChI: InChI=1S/C12H11N5/c1-17-12-10(7-15-17)11(13-8-14-12)16-9-5-3-2-4-6-9/h2-8H,1H3,(H,13,14,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | IUPAC digitized pKa | 1 » 0 |
| 3.53 | QSARToolbox | 1 » 0 |
| 3.53 | Datawarrior | 1 » 0 |
| 3.53 | OCHEM | 1 » 0 |