Molecule ID: mol3784
SMILES: c1ccc(-c2ccncc2)nc1
InChI: InChI=1S/C10H8N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.19 | IUPAC digitized pKa | 2 » 1 |
| 1.19 | Datawarrior | 2 » 1 |
| 1.19 | QSARToolbox | 2 » 1 |
| 1.19 | QSARToolbox | 2 » 1 |
| 4.37 | OCHEM | 1 » 0 |
| 4.37 | OCHEM | 1 » 0 |
| 4.77 | QSARToolbox | 1 » 0 |
| 4.77 | IUPAC digitized pKa | 1 » 0 |
| 4.77 | Datawarrior | 1 » 0 |
| 4.77 | OCHEM | 1 » 0 |