Molecule ID: mol4015
SMILES: c1ccnnc1
InChI: InChI=1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.24 | IUPAC digitized pKa | 1 » 0 |
| 2.24 | Baltruschat ChEMBL | 1 » 0 |
| 2.24 | QSARToolbox | 1 » 0 |
| 2.30 | Baltruschat ChEMBL | 1 » 0 |
| 2.33 | OCHEM | 1 » 0 |
| 2.33 | QSARToolbox | 1 » 0 |
| 2.33 | Datawarrior | 1 » 0 |
| 2.33 | OCHEM | 1 » 0 |
| 2.33 | OCHEM | 1 » 0 |
| 2.33 | AttenGpKa training set | 1 » 0 |
| 2.60 | OCHEM | 1 » 0 |
| 2.96 | IUPAC digitized pKa | 1 » 0 |
| 2.96 | QSARToolbox | 1 » 0 |
| 2.98 | QSARToolbox | 1 » 0 |