Molecule ID: mol2414
SMILES: CNc1c(C)cccc1C
InChI: InChI=1S/C9H13N/c1-7-5-4-6-8(2)9(7)10-3/h4-6,10H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.29 | IUPAC digitized pKa | 1 » 0 |
| 5.30 | OCHEM | 1 » 0 |
| 6.12 | QSARToolbox | 1 » 0 |
| 6.12 | QSARToolbox | 1 » 0 |
| 6.12 | OCHEM | 1 » 0 |
| 6.12 | IUPAC digitized pKa | 1 » 0 |
| 6.12 | Datawarrior | 1 » 0 |
| 6.12 | Hunt | 1 » 0 |
| 6.12 | AttenGpKa training set | 1 » 0 |