Molecule ID: mol8381
SMILES: CNc1c2ccccc2nc2ccccc12
InChI: InChI=1S/C14H12N2/c1-15-14-10-6-2-4-8-12(10)16-13-9-5-3-7-11(13)14/h2-9H,1H3,(H,15,16)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.43 | QSARToolbox | 2 » 1 |
| 10.10 | AttenGpKa training set | 1 » 0 |
| 10.43 | IUPAC digitized pKa | 1 » 0 |
| 10.43 | OCHEM | 1 » 0 |