Molecule ID: mol692
SMILES: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1
InChI: InChI=1S/C14H15N5O6S/c1-8-15-12(18-14(16-8)25-3)17-13(21)19-26(22,23)10-7-5-4-6-9(10)11(20)24-2/h4-7H,1-3H3,(H2,15,16,17,18,19,21)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.47 | AttenGpKa training set | 0 » -1 |
| 3.64 | QSARToolbox | 0 » -1 |
| 3.80 | OCHEM | 0 » -1 |
| 3.80 | Hunt | 0 » -1 |