Molecule ID: mol15563
SMILES: COc1ccc(-c2nc3ncccc3[nH]2)c(OC)c1
InChI: InChI=1S/C14H13N3O2/c1-18-9-5-6-10(12(8-9)19-2)13-16-11-4-3-7-15-14(11)17-13/h3-8H,1-2H3,(H,15,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.63 | Datawarrior | 1 » 0 |
| 4.63 | OCHEM | 1 » 0 |
| 4.63 | QSARToolbox | 1 » 0 |
| 4.63 | QSARToolbox | 1 » 0 |