Molecule ID: mol3346
SMILES: CN(C)c1ccc(N)cc1
InChI: InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3-6H,9H2,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.38 | AttenGpKa training set | 2 » 1 |
| 3.73 | Datawarrior | 2 » 1 |
| 6.37 | OCHEM | 1 » 0 |
| 6.37 | Datawarrior | 1 » 0 |
| 6.40 | AttenGpKa training set | 1 » 0 |
| 6.59 | IUPAC digitized pKa | 1 » 0 |
| 6.59 | OCHEM | 1 » 0 |
| 6.71 | Baltruschat ChEMBL | 1 » 0 |