Molecule ID: mol28077
SMILES: Cc1ccc(NC(=N)c2ccccc2)cc1
InChI: InChI=1S/C14H14N2/c1-11-7-9-13(10-8-11)16-14(15)12-5-3-2-4-6-12/h2-10H,1H3,(H2,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.20 | QSARToolbox | 1 » 0 |
| 9.40 | AttenGpKa training set | 1 » 0 |
| 9.40 | AttenGpKa training set | 1 » 0 |