Molecule ID: mol1098
SMILES: Cc1cc(N)cc(C)c1C
InChI: InChI=1S/C9H13N/c1-6-4-9(10)5-7(2)8(6)3/h4-5H,10H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.12 | QSARToolbox | 1 » 0 |
| 5.12 | IUPAC digitized pKa | 1 » 0 |
| 5.12 | Hunt | 1 » 0 |
| 5.12 | OCHEM | 1 » 0 |
| 5.15 | Datawarrior | 1 » 0 |
| 5.15 | AttenGpKa training set | 1 » 0 |
| 5.15 | QSARToolbox | 1 » 0 |
| 5.15 | OCHEM | 1 » 0 |