Molecule ID: mol4053
SMILES: c1cncnc1
InChI: InChI=1S/C4H4N2/c1-2-5-4-6-3-1/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -6.92 | AttenGpKa training set | 2 » 1 |
| -6.30 | QSARToolbox | 2 » 1 |
| 0.93 | OCHEM | 1 » 0 |
| 1.23 | IUPAC digitized pKa | 1 » 0 |
| 1.23 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 1.23 | OCHEM | 1 » 0 |
| 1.23 | OCHEM | 1 » 0 |
| 1.23 | QSARToolbox | 1 » 0 |
| 1.30 | QSARToolbox | 1 » 0 |
| 1.30 | QSARToolbox | 1 » 0 |
| 1.30 | Datawarrior | 1 » 0 |
| 1.30 | OCHEM | 1 » 0 |
| 1.30 | OCHEM | 1 » 0 |
| 1.30 | OCHEM | 1 » 0 |
| 1.30 | Baltruschat ChEMBL | 1 » 0 |
| 1.30 | AttenGpKa training set | 1 » 0 |
| 1.31 | Baltruschat ChEMBL | 1 » 0 |