Molecule ID: mol2129
SMILES: CN(C)CCc1cccnc1
InChI: InChI=1S/C9H14N2/c1-11(2)7-5-9-4-3-6-10-8-9/h3-4,6,8H,5,7H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.30 | IUPAC digitized pKa | 2 » 1 |
| 4.30 | Organic Oxygen Acids and Nitrogen Bases | 2 » 1 |
| 4.30 | OCHEM | 2 » 1 |
| 4.30 | OCHEM | 2 » 1 |
| 4.30 | OCHEM | 2 » 1 |
| 4.30 | QSARToolbox | 2 » 1 |
| 4.36 | AttenGpKa training set | 2 » 1 |
| 8.86 | QSARToolbox | 1 » 0 |
| 8.86 | IUPAC digitized pKa | 1 » 0 |
| 8.86 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.86 | OCHEM | 1 » 0 |
| 8.86 | OCHEM | 1 » 0 |
| 8.86 | OCHEM | 1 » 0 |
| 8.86 | Hunt | 1 » 0 |
| 8.86 | OCHEM | 1 » 0 |
| 8.86 | OCHEM | 1 » 0 |
| 8.86 | OCHEM | 1 » 0 |
| 8.90 | AttenGpKa training set | 1 » 0 |