Molecule ID: mol6664
SMILES: Cc1nc[nH]c1C
InChI: InChI=1S/C5H8N2/c1-4-5(2)7-3-6-4/h3H,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.96 | AttenGpKa training set | 1 » 0 |
| 8.19 | QSARToolbox | 1 » 0 |
| 8.19 | OCHEM | 1 » 0 |
| 8.19 | Datawarrior | 1 » 0 |
| 8.28 | IUPAC digitized pKa | 1 » 0 |