Molecule ID: mol4557
SMILES: Nc1ccc2nnccc2c1
InChI: InChI=1S/C8H7N3/c9-7-1-2-8-6(5-7)3-4-10-11-8/h1-5H,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.03 | IUPAC digitized pKa | 1 » 0 |
| 5.04 | QSARToolbox | 1 » 0 |
| 5.04 | Datawarrior | 1 » 0 |
| 5.04 | OCHEM | 1 » 0 |
| 5.04 | AttenGpKa training set | 1 » 0 |