Molecule ID: mol15572
SMILES: CN(C)C(=O)n1nc(C(C)(C)C)nc1SCC(=O)O
InChI: InChI=1S/C11H18N4O3S/c1-11(2,3)8-12-9(19-6-7(16)17)15(13-8)10(18)14(4)5/h6H2,1-5H3,(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.49 | Datawarrior | 0 » -1 |
| 3.49 | OCHEM | 0 » -1 |
| 3.49 | AttenGpKa training set | 0 » -1 |
| 3.49 | QSARToolbox | 0 » -1 |