Molecule ID: mol7851
SMILES: Cc1ccc2nc(C)nc(C(N)=O)c2c1
InChI: InChI=1S/C11H11N3O/c1-6-3-4-9-8(5-6)10(11(12)15)14-7(2)13-9/h3-5H,1-2H3,(H2,12,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 1.79 | QSARToolbox | 1 » 0 |
| 4.16 | QSARToolbox | 1 » 0 |
| 4.20 | AttenGpKa training set | 1 » 0 |