Molecule ID: mol15113
SMILES: CC1=NCCc2c1[nH]c1ccccc21
InChI: InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 5.01 | QSARToolbox | 1 » 0 |
| 8.99 | OCHEM | 1 » 0 |
| 8.99 | Datawarrior | 1 » 0 |
| 14.90 | Datawarrior | 0 » -1 |
| 14.90 | OCHEM | 0 » -1 |