Molecule ID: mol4863
SMILES: Nc1nc(N)c2[nH]c(C(F)(F)F)nc2n1
InChI: InChI=1S/C6H5F3N6/c7-6(8,9)4-12-1-2(10)13-5(11)15-3(1)14-4/h(H5,10,11,12,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.68 | IUPAC digitized pKa | 1 » 0 |
| 7.55 | IUPAC digitized pKa | 0 » -1 |