Molecule ID: mol1094
SMILES: Cc1cccc(N(C)C)c1
InChI: InChI=1S/C9H13N/c1-8-5-4-6-9(7-8)10(2)3/h4-7H,1-3H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.22 | QSARToolbox | 1 » 0 |
| 5.22 | IUPAC digitized pKa | 1 » 0 |
| 5.23 | OCHEM | 1 » 0 |
| 5.24 | QSARToolbox | 1 » 0 |
| 5.24 | QSARToolbox | 1 » 0 |
| 5.24 | AttenGpKa training set | 1 » 0 |
| 5.32 | Datawarrior | 1 » 0 |
| 5.32 | OCHEM | 1 » 0 |
| 5.34 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.34 | QSARToolbox | 1 » 0 |
| 5.34 | IUPAC digitized pKa | 1 » 0 |
| 5.34 | OCHEM | 1 » 0 |
| 5.34 | Hunt | 1 » 0 |
| 8.62 | QSARToolbox | 1 » 0 |