Molecule ID: mol3690
SMILES: CN(C)Cc1ccncc1
InChI: InChI=1S/C8H12N2/c1-10(2)7-8-3-5-9-6-4-8/h3-6H,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.39 | IUPAC digitized pKa | 2 » 1 |
| 3.39 | OCHEM | 2 » 1 |
| 3.39 | QSARToolbox | 2 » 1 |
| 3.45 | AttenGpKa training set | 2 » 1 |
| 7.66 | QSARToolbox | 1 » 0 |
| 7.66 | IUPAC digitized pKa | 1 » 0 |
| 7.66 | OCHEM | 1 » 0 |
| 7.66 | OCHEM | 1 » 0 |
| 7.66 | OCHEM | 1 » 0 |
| 7.70 | AttenGpKa training set | 1 » 0 |