Molecule ID: mol8014
SMILES: c1cc2cncnc2cn1
InChI: InChI=1S/C7H5N3/c1-2-8-4-7-6(1)3-9-5-10-7/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.81 | QSARToolbox | 2 » 1 |
| 1.81 | IUPAC digitized pKa | 2 » 1 |
| 1.81 | OCHEM | 2 » 1 |
| 1.81 | OCHEM | 2 » 1 |
| 4.70 | QSARToolbox | 1 » 0 |
| 4.70 | AttenGpKa training set | 1 » 0 |