Molecule ID: mol3783
SMILES: c1ccc(-c2cccnc2)nc1
InChI: InChI=1S/C10H8N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-8H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.52 | QSARToolbox | 2 » 1 |
| 1.52 | QSARToolbox | 2 » 1 |
| 1.52 | IUPAC digitized pKa | 2 » 1 |
| 1.52 | Datawarrior | 2 » 1 |
| 4.12 | OCHEM | 1 » 0 |
| 4.42 | IUPAC digitized pKa | 1 » 0 |
| 4.42 | Datawarrior | 1 » 0 |
| 4.42 | QSARToolbox | 1 » 0 |
| 4.42 | OCHEM | 1 » 0 |