Molecule ID: mol13594
SMILES: CCCCn1ccnc1
InChI: InChI=1S/C7H12N2/c1-2-3-5-9-6-4-8-7-9/h4,6-7H,2-3,5H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.10 | QSARToolbox | 1 » 0 |
| 7.14 | OCHEM | 1 » 0 |
| 7.14 | Datawarrior | 1 » 0 |
| 7.18 | QSARToolbox | 1 » 0 |
| 7.21 | AttenGpKa training set | 1 » 0 |