Molecule ID: mol28132
SMILES: N=C(Nc1ccc(Br)cc1)c1ccccc1
InChI: InChI=1S/C13H11BrN2/c14-11-6-8-12(9-7-11)16-13(15)10-4-2-1-3-5-10/h1-9H,(H2,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.40 | QSARToolbox | 1 » 0 |
| 8.70 | AttenGpKa training set | 1 » 0 |
| 8.70 | AttenGpKa training set | 1 » 0 |