Molecule ID: mol646
SMILES: COc1nc(C)nc(NC(=O)NS(=O)(=O)c2ccccc2Cl)n1
InChI: InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.40 | OCHEM | 0 » -1 |
| 3.40 | Hunt | 0 » -1 |
| 3.63 | AttenGpKa training set | 0 » -1 |
| 3.63 | QSARToolbox | 0 » -1 |