Molecule ID: mol19802
SMILES: C[C@]1(c2cc(N)ccc2F)N=C(N)CO[C@H]1C(F)(F)F
InChI: InChI=1S/C12H13F4N3O/c1-11(7-4-6(17)2-3-8(7)13)10(12(14,15)16)20-5-9(18)19-11/h2-4,10H,5,17H2,1H3,(H2,18,19)/t10-,11-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.00 | OCHEM | 1 » 0 |
| 8.00 | Baltruschat ChEMBL | 1 » 0 |