Molecule ID: mol4496
SMILES: Cc1ccc2nc(Cc3ccccc3)[nH]c2c1
InChI: InChI=1S/C15H14N2/c1-11-7-8-13-14(9-11)17-15(16-13)10-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.00 | IUPAC digitized pKa | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 6.00 | OCHEM | 1 » 0 |
| 11.20 | IUPAC digitized pKa | 0 » -1 |
| 11.20 | AttenGpKa training set | 0 » -1 |