Molecule ID: mol4589
SMILES: c1ccc2cnncc2c1
InChI: InChI=1S/C8H6N2/c1-2-4-8-6-10-9-5-7(8)3-1/h1-6H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.43 | IUPAC digitized pKa | 1 » 0 |
| 3.47 | IUPAC digitized pKa | 1 » 0 |
| 3.47 | IUPAC digitized pKa | 1 » 0 |
| 3.47 | Datawarrior | 1 » 0 |
| 3.47 | OCHEM | 1 » 0 |
| 3.47 | OCHEM | 1 » 0 |
| 3.47 | OCHEM | 1 » 0 |
| 3.47 | AttenGpKa training set | 1 » 0 |
| 3.47 | QSARToolbox | 1 » 0 |