Molecule ID: mol8880
SMILES: NNCCOc1ccccc1
InChI: InChI=1S/C8H12N2O/c9-10-6-7-11-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.80 | IUPAC digitized pKa | 1 » 0 |
| 6.80 | Datawarrior | 1 » 0 |
| 6.80 | AttenGpKa training set | 1 » 0 |
| 6.80 | QSARToolbox | 1 » 0 |
| 6.80 | OCHEM | 1 » 0 |