Molecule ID: mol8012
SMILES: c1cnc2cncnc2c1
InChI: InChI=1S/C7H5N3/c1-2-6-7(9-3-1)4-8-5-10-6/h1-5H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.36 | IUPAC digitized pKa | 1 » 0 |
| 1.36 | OCHEM | 1 » 0 |
| 1.36 | OCHEM | 1 » 0 |
| 1.36 | QSARToolbox | 1 » 0 |
| 4.11 | AttenGpKa training set | 1 » 0 |
| 4.11 | QSARToolbox | 1 » 0 |