Molecule ID: mol13154
SMILES: O=c1[nH]cnc2[nH]ncc12
InChI: InChI=1S/C5H4N4O/c10-5-3-1-8-9-4(3)6-2-7-5/h1-2H,(H2,6,7,8,9,10)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | Baltruschat ChEMBL | 0 » -1 |
| 9.04 | OCHEM | 0 » -1 |
| 9.38 | Datawarrior | 0 » -1 |
| 9.38 | OCHEM | 0 » -1 |
| 9.38 | QSARToolbox | 0 » -1 |
| 9.40 | AttenGpKa training set | 0 » -1 |
| 9.70 | OCHEM | 0 » -1 |
| 9.70 | Baltruschat ChEMBL | 0 » -1 |
| 10.20 | QSARToolbox | -1 » -2 |