Molecule ID: mol3907
SMILES: Cc1cnc(C)[nH]1
InChI: InChI=1S/C5H8N2/c1-4-3-6-5(2)7-4/h3H,1-2H3,(H,6,7)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.36 | IUPAC digitized pKa | 1 » 0 |
| 8.36 | QSARToolbox | 1 » 0 |
| 8.36 | QSARToolbox | 1 » 0 |
| 8.38 | IUPAC digitized pKa | 1 » 0 |
| 8.38 | OCHEM | 1 » 0 |
| 8.38 | OCHEM | 1 » 0 |
| 8.39 | Datawarrior | 1 » 0 |
| 8.39 | OCHEM | 1 » 0 |
| 8.45 | QSARToolbox | 1 » 0 |
| 8.45 | IUPAC digitized pKa | 1 » 0 |
| 8.50 | AttenGpKa training set | 1 » 0 |
| 8.50 | AttenGpKa training set | 1 » 0 |
| 8.91 | IUPAC digitized pKa | 1 » 0 |