Molecule ID: mol3785
SMILES: c1cncc(-c2cccnc2)c1
InChI: InChI=1S/C10H8N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h1-8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.00 | IUPAC digitized pKa | 2 » 1 |
| 3.00 | Datawarrior | 2 » 1 |
| 3.00 | QSARToolbox | 2 » 1 |
| 3.00 | QSARToolbox | 2 » 1 |
| 4.60 | OCHEM | 1 » 0 |
| 4.60 | QSARToolbox | 1 » 0 |
| 4.60 | IUPAC digitized pKa | 1 » 0 |
| 4.60 | Datawarrior | 1 » 0 |
| 4.60 | OCHEM | 1 » 0 |