Molecule ID: mol8016
SMILES: c1cnc2ncncc2c1
InChI: InChI=1S/C7H5N3/c1-2-6-4-8-5-10-7(6)9-3-1/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| -1.00 | QSARToolbox | 2 » 1 |
| 1.00 | OCHEM | 1 » 0 |
| 1.00 | OCHEM | 1 » 0 |
| 3.85 | QSARToolbox | 1 » 0 |
| 3.85 | AttenGpKa training set | 1 » 0 |