Molecule ID: mol14853
SMILES: COc1ccc(-c2cn3ccnc3[nH]2)c(OC)c1
InChI: InChI=1S/C13H13N3O2/c1-17-9-3-4-10(12(7-9)18-2)11-8-16-6-5-14-13(16)15-11/h3-8H,1-2H3,(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.76 | Datawarrior | 1 » 0 |
| 6.76 | OCHEM | 1 » 0 |