Molecule ID: mol4700
SMILES: c1cnc2ncncc2n1
InChI: InChI=1S/C6H4N4/c1-2-9-6-5(8-1)3-7-4-10-6/h1-4H
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.09 | IUPAC digitized pKa | 1 » 0 |
| 4.12 | QSARToolbox | 1 » 0 |
| 4.12 | AttenGpKa training set | 1 » 0 |
| 4.13 | Datawarrior | 1 » 0 |
| 4.13 | OCHEM | 1 » 0 |
| 4.15 | QSARToolbox | 1 » 0 |