Molecule ID: mol1265
SMILES: CN(C)CCc1ccccn1
InChI: InChI=1S/C9H14N2/c1-11(2)8-6-9-5-3-4-7-10-9/h3-5,7H,6,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.46 | IUPAC digitized pKa | 2 » 1 |
| 3.46 | QSARToolbox | 2 » 1 |
| 3.52 | AttenGpKa training set | 2 » 1 |
| 8.75 | IUPAC digitized pKa | 1 » 0 |
| 8.75 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.75 | OCHEM | 1 » 0 |
| 8.75 | OCHEM | 1 » 0 |
| 8.75 | OCHEM | 1 » 0 |
| 8.75 | Hunt | 1 » 0 |
| 8.75 | OCHEM | 1 » 0 |
| 8.75 | OCHEM | 1 » 0 |
| 8.75 | OCHEM | 1 » 0 |
| 8.75 | QSARToolbox | 1 » 0 |
| 8.79 | AttenGpKa training set | 1 » 0 |