Molecule ID: mol4305
SMILES: Nc1nnnn1-c1ccccc1
InChI: InChI=1S/C7H7N5/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H,(H2,8,9,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.12 | Datawarrior | 1 » 0 |
| 1.12 | OCHEM | 1 » 0 |
| 1.12 | AttenGpKa training set | 1 » 0 |
| 1.12 | QSARToolbox | 1 » 0 |