Molecule ID: mol4917
SMILES: Cc1n[nH]c2c(Nc3ccccc3)ncnc12
InChI: InChI=1S/C12H11N5/c1-8-10-11(17-16-8)12(14-7-13-10)15-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.57 | IUPAC digitized pKa | 1 » 0 |
| 4.61 | Datawarrior | 1 » 0 |
| 4.61 | OCHEM | 1 » 0 |
| 4.61 | QSARToolbox | 1 » 0 |