Molecule ID: mol15530
SMILES: COc1ccc(-c2cc3ccncc3[nH]2)c(OC)c1
InChI: InChI=1S/C15H14N2O2/c1-18-11-3-4-12(15(8-11)19-2)13-7-10-5-6-16-9-14(10)17-13/h3-9,17H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.27 | QSARToolbox | 1 » 0 |
| 8.29 | Datawarrior | 1 » 0 |
| 8.29 | OCHEM | 1 » 0 |