Molecule ID: mol14219
SMILES: Cc1cnc(C)c(O)c1C=O
InChI: InChI=1S/C8H9NO2/c1-5-3-9-6(2)8(11)7(5)4-10/h3-4,11H,1-2H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.10 | OCHEM | 1 » 0 |
| 4.10 | Datawarrior | 1 » 0 |
| 4.17 | QSARToolbox | 1 » 0 |
| 8.08 | OCHEM | 0 » -1 |
| 8.08 | Datawarrior | 0 » -1 |
| 8.14 | QSARToolbox | 0 » -1 |
| 8.14 | QSARToolbox | 0 » -1 |
| 8.14 | QSARToolbox | 0 » -1 |