Molecule ID: mol15529
SMILES: COc1ccc(-c2cc3cnccc3[nH]2)c(OC)c1
InChI: InChI=1S/C15H14N2O2/c1-18-11-3-4-12(15(8-11)19-2)14-7-10-9-16-6-5-13(10)17-14/h3-9,17H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.47 | QSARToolbox | 1 » 0 |
| 8.49 | OCHEM | 1 » 0 |
| 8.49 | Datawarrior | 1 » 0 |