Molecule ID: mol14591
SMILES: N=C(Nc1ccccc1)Nc1ccccc1
InChI: InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.94 | OCHEM | 1 » 0 |
| 9.94 | Datawarrior | 1 » 0 |
| 10.02 | AttenGpKa training set | 1 » 0 |
| 10.30 | OCHEM | 1 » 0 |
| 10.30 | OCHEM | 1 » 0 |