Molecule ID: mol3641
SMILES: CC(C)(C)c1cccnc1
InChI: InChI=1S/C9H13N/c1-9(2,3)8-5-4-6-10-7-8/h4-7H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.82 | IUPAC digitized pKa | 1 » 0 |
| 5.82 | Datawarrior | 1 » 0 |
| 5.82 | OCHEM | 1 » 0 |
| 5.82 | OCHEM | 1 » 0 |
| 5.82 | OCHEM | 1 » 0 |
| 5.82 | AttenGpKa training set | 1 » 0 |
| 5.82 | QSARToolbox | 1 » 0 |
| 5.82 | QSARToolbox | 1 » 0 |
| 5.82 | OCHEM | 1 » 0 |