Molecule ID: mol13397
SMILES: CCCc1ncnc2c(O)cccc12
InChI: InChI=1S/C11H12N2O/c1-2-4-9-8-5-3-6-10(14)11(8)13-7-12-9/h3,5-7,14H,2,4H2,1H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.75 | AttenGpKa training set | 0 » -1 |
| 8.82 | QSARToolbox | 0 » -1 |
| 8.82 | OCHEM | 0 » -1 |
| 8.82 | Datawarrior | 0 » -1 |
| 8.82 | AttenGpKa training set | 0 » -1 |