Molecule ID: mol16403
SMILES: N=C(N)NC(=O)c1nc(Cl)c(N)nc1N
InChI: InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.35 | OCHEM | 1 » 0 |
| 8.60 | OCHEM | 1 » 0 |
| 8.60 | Baltruschat ChEMBL | 1 » 0 |
| 8.65 | Baltruschat ChEMBL | 1 » 0 |
| 8.70 | QSARToolbox | 1 » 0 |
| 8.70 | Baltruschat ChEMBL | 1 » 0 |
| 8.70 | AttenGpKa training set | 1 » 0 |
| 8.80 | Baltruschat ChEMBL | 1 » 0 |