Molecule ID: mol3727
SMILES: CC(C)c1ccncc1
InChI: InChI=1S/C8H11N/c1-7(2)8-3-5-9-6-4-8/h3-7H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.02 | QSARToolbox | 1 » 0 |
| 6.02 | IUPAC digitized pKa | 1 » 0 |
| 6.02 | Datawarrior | 1 » 0 |
| 6.02 | OCHEM | 1 » 0 |
| 6.02 | OCHEM | 1 » 0 |
| 6.02 | OCHEM | 1 » 0 |
| 6.02 | OCHEM | 1 » 0 |
| 6.03 | AttenGpKa training set | 1 » 0 |
| 6.04 | IUPAC digitized pKa | 1 » 0 |
| 6.20 | QSARToolbox | 1 » 0 |