Molecule ID: mol4603
SMILES: Nc1ccc2ncncc2c1
InChI: InChI=1S/C8H7N3/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.28 | QSARToolbox | 1 » 0 |
| 3.28 | IUPAC digitized pKa | 1 » 0 |
| 3.28 | OCHEM | 1 » 0 |
| 3.29 | QSARToolbox | 1 » 0 |
| 3.29 | Datawarrior | 1 » 0 |
| 3.29 | OCHEM | 1 » 0 |
| 3.29 | AttenGpKa training set | 1 » 0 |