Molecule ID: mol15234
SMILES: Cc1nc(N(C)C)nc(OC(=O)N(C)C)c1C
InChI: InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.53 | Datawarrior | 1 » 0 |
| 4.53 | OCHEM | 1 » 0 |
| 4.53 | QSARToolbox | 1 » 0 |
| 4.54 | QSARToolbox | 1 » 0 |
| 4.54 | AttenGpKa training set | 1 » 0 |