Molecule ID: mol12956
SMILES: NNCCc1ccccc1
InChI: InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.24 | AttenGpKa training set | 1 » 0 |
| 7.25 | Datawarrior | 1 » 0 |
| 7.25 | OCHEM | 1 » 0 |
| 7.25 | QSARToolbox | 1 » 0 |
| 7.66 | OCHEM | 1 » 0 |