Molecule ID: mol4536
SMILES: c1ccc(CCc2nc3ccccc3[nH]2)cc1
InChI: InChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.10 | IUPAC digitized pKa | 1 » 0 |
| 11.40 | IUPAC digitized pKa | 0 » -1 |
| 11.40 | AttenGpKa training set | 0 » -1 |