Molecule ID: mol15562
SMILES: COc1ccc(-c2nc3cnccc3[nH]2)c(OC)c1
InChI: InChI=1S/C14H13N3O2/c1-18-9-3-4-10(13(7-9)19-2)14-16-11-5-6-15-8-12(11)17-14/h3-8H,1-2H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.49 | OCHEM | 1 » 0 |
| 6.49 | Datawarrior | 1 » 0 |
| 6.52 | QSARToolbox | 1 » 0 |
| 6.52 | QSARToolbox | 1 » 0 |