Molecule ID: mol1097
SMILES: Cc1cc(C)c(N)c(C)c1
InChI: InChI=1S/C9H13N/c1-6-4-7(2)9(10)8(3)5-6/h4-5H,10H2,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.02 | IUPAC digitized pKa | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | QSARToolbox | 1 » 0 |
| 4.37 | OCHEM | 1 » 0 |
| 4.37 | IUPAC digitized pKa | 1 » 0 |
| 4.37 | Datawarrior | 1 » 0 |
| 4.37 | AttenGpKa training set | 1 » 0 |
| 4.38 | OCHEM | 1 » 0 |
| 4.38 | IUPAC digitized pKa | 1 » 0 |
| 4.38 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 4.38 | OCHEM | 1 » 0 |
| 4.38 | OCHEM | 1 » 0 |
| 4.38 | Hunt | 1 » 0 |
| 4.38 | OCHEM | 1 » 0 |
| 4.38 | QSARToolbox | 1 » 0 |
| 4.38 | QSARToolbox | 1 » 0 |