Molecule ID: mol4214
SMILES: Cc1ccncn1
InChI: InChI=1S/C5H6N2/c1-5-2-3-6-4-7-5/h2-4H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.90 | QSARToolbox | 1 » 0 |
| 1.90 | IUPAC digitized pKa | 1 » 0 |
| 1.91 | OCHEM | 1 » 0 |
| 1.91 | QSARToolbox | 1 » 0 |
| 1.91 | IUPAC digitized pKa | 1 » 0 |
| 1.91 | OCHEM | 1 » 0 |
| 1.91 | OCHEM | 1 » 0 |
| 1.98 | AttenGpKa training set | 1 » 0 |
| 1.98 | QSARToolbox | 1 » 0 |
| 1.99 | Datawarrior | 1 » 0 |
| 1.99 | OCHEM | 1 » 0 |
| 2.00 | QSARToolbox | 1 » 0 |