Molecule ID: mol15709
SMILES: Cc1cccc(C(C)c2c[nH]cn2)c1C
InChI: InChI=1S/C13H16N2/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13/h4-8,11H,1-3H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.04 | QSARToolbox | 1 » 0 |
| 7.04 | Datawarrior | 1 » 0 |
| 7.04 | OCHEM | 1 » 0 |