Molecule ID: mol124
SMILES: CN1CCCC1c1cccnc1
InChI: InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.93 | QSARToolbox | 2 » 1 |
| 3.01 | Datawarrior | 2 » 1 |
| 3.09 | AttenGpKa training set | 2 » 1 |
| 3.10 | Organic Oxygen Acids and Nitrogen Bases | 2 » 1 |
| 3.10 | OCHEM | 2 » 1 |
| 3.16 | Datawarrior | 2 » 1 |
| 3.40 | OCHEM | 2 » 1 |
| 7.85 | Datawarrior | 1 » 0 |
| 8.01 | AttenGpKa training set | 1 » 0 |
| 8.04 | OCHEM | 1 » 0 |
| 8.06 | Datawarrior | 1 » 0 |
| 8.06 | OCHEM | 1 » 0 |
| 8.10 | OCHEM | 1 » 0 |
| 8.10 | Settimo | 1 » 0 |
| 8.10 | Settimo | 1 » 0 |
| 8.18 | Organic Oxygen Acids and Nitrogen Bases | 1 » 0 |
| 8.18 | QSARToolbox | 1 » 0 |