Molecule ID: mol3910
SMILES: CCn1ccnc1
InChI: InChI=1S/C5H8N2/c1-2-7-4-3-6-5-7/h3-5H,2H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.28 | AttenGpKa training set | 1 » 0 |
| 7.30 | IUPAC digitized pKa | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.30 | OCHEM | 1 » 0 |
| 7.30 | QSARToolbox | 1 » 0 |