Molecule ID: mol29813
SMILES: N=C(N)NC(=O)c1nc(Sc2ccccc2)c(N)nc1N
InChI: InChI=1S/C12H13N7OS/c13-8-7(10(20)19-12(15)16)17-11(9(14)18-8)21-6-4-2-1-3-5-6/h1-5H,(H4,13,14,18)(H4,15,16,19,20)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.00 | QSARToolbox | 1 » 0 |
| 9.00 | AttenGpKa training set | 1 » 0 |