Molecule ID: mol1266
SMILES: CN(C)CCc1ccncc1
InChI: InChI=1S/C9H14N2/c1-11(2)8-5-9-3-6-10-7-4-9/h3-4,6-7H,5,8H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.66 | QSARToolbox | 2 » 1 |
| 4.66 | IUPAC digitized pKa | 2 » 1 |
| 4.66 | OCHEM | 2 » 1 |
| 4.72 | AttenGpKa training set | 2 » 1 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.70 | IUPAC digitized pKa | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | Hunt | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.70 | OCHEM | 1 » 0 |
| 8.74 | AttenGpKa training set | 1 » 0 |