Molecule ID: mol15821
SMILES: c1ccc2[nH]c(-c3ccncc3)nc2c1
InChI: InChI=1S/C12H9N3/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9/h1-8H,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.96 | Datawarrior | 2 » 1 |
| 1.96 | QSARToolbox | 2 » 1 |
| 3.85 | Baltruschat ChEMBL | 2 » 1 |
| 4.47 | Datawarrior | 2 » 1 |
| 10.78 | Datawarrior | 0 » -1 |
| 10.78 | OCHEM | 0 » -1 |
| 10.95 | Baltruschat ChEMBL | 0 » -1 |