Molecule ID: mol29790
SMILES: N=C(N)NC(=O)c1nc(SC(F)(F)F)c(N)nc1N
InChI: InChI=1S/C7H8F3N7OS/c8-7(9,10)19-5-3(12)16-2(11)1(15-5)4(18)17-6(13)14/h(H4,11,12,16)(H4,13,14,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.22 | AttenGpKa training set | 1 » 0 |
| 8.22 | QSARToolbox | 1 » 0 |