Molecule ID: mol3752
SMILES: CN(C(=O)c1ccccc1)c1ccncc1
InChI: InChI=1S/C13H12N2O/c1-15(12-7-9-14-10-8-12)13(16)11-5-3-2-4-6-11/h2-10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.68 | OCHEM | 1 » 0 |
| 4.68 | IUPAC digitized pKa | 1 » 0 |
| 4.68 | Datawarrior | 1 » 0 |
| 4.68 | OCHEM | 1 » 0 |
| 4.68 | AttenGpKa training set | 1 » 0 |