Molecule ID: mol15564
SMILES: COc1ccc(-c2cn3cccnc3n2)c(OC)c1
InChI: InChI=1S/C14H13N3O2/c1-18-10-4-5-11(13(8-10)19-2)12-9-17-7-3-6-15-14(17)16-12/h3-9H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.34 | Datawarrior | 1 » 0 |
| 4.34 | QSARToolbox | 1 » 0 |
| 4.34 | QSARToolbox | 1 » 0 |
| 4.34 | OCHEM | 1 » 0 |