Molecule ID: mol7318
SMILES: Nc1nc(N)c(-c2ccccc2)c(C(F)(F)F)n1
InChI: InChI=1S/C11H9F3N4/c12-11(13,14)8-7(6-4-2-1-3-5-6)9(15)18-10(16)17-8/h1-5H,(H4,15,16,17,18)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.25 | IUPAC digitized pKa | 1 » 0 |
| 3.25 | OCHEM | 1 » 0 |
| 3.25 | QSARToolbox | 1 » 0 |
| 3.25 | AttenGpKa training set | 1 » 0 |