Molecule ID: mol3751
SMILES: CN(C(=O)c1ccccc1)c1cccnc1
InChI: InChI=1S/C13H12N2O/c1-15(12-8-5-9-14-10-12)13(16)11-6-3-2-4-7-11/h2-10H,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.66 | IUPAC digitized pKa | 1 » 0 |
| 3.66 | Datawarrior | 1 » 0 |
| 3.66 | OCHEM | 1 » 0 |
| 3.66 | AttenGpKa training set | 1 » 0 |
| 3.66 | OCHEM | 1 » 0 |