Molecule ID: mol13584
SMILES: NCc1ccc(N)cc1
InChI: InChI=1S/C7H10N2/c8-5-6-1-3-7(9)4-2-6/h1-4H,5,8-9H2
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.16 | Datawarrior | 2 » 1 |
| 9.76 | AttenGpKa training set | 1 » 0 |
| 10.00 | Datawarrior | 1 » 0 |
| 10.00 | OCHEM | 1 » 0 |