Molecule ID: mol1279
SMILES: CN(C(=O)c1ccccc1)c1ccccn1
InChI: InChI=1S/C13H12N2O/c1-15(12-9-5-6-10-14-12)13(16)11-7-3-2-4-8-11/h2-10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.44 | IUPAC digitized pKa | 1 » 0 |
| 1.44 | Datawarrior | 1 » 0 |
| 1.44 | Hunt | 1 » 0 |
| 1.44 | AttenGpKa training set | 1 » 0 |
| 1.44 | OCHEM | 1 » 0 |