Molecule ID: mol10180
SMILES: Cn1c(=O)[nH]c2ncn(C)c2c1=O
InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 0.50 | Datawarrior | 1 » 0 |
| 0.50 | OCHEM | 1 » 0 |
| 8.50 | QSARToolbox | 0 » -1 |
| 8.65 | OCHEM | 0 » -1 |
| 8.65 | Datawarrior | 0 » -1 |