Molecule ID: mol2609
SMILES: Cc1cn(C[C@H]2CN(c3ccc(-n4cnc(Br)c4)c(F)c3)C(=O)O2)nn1
InChI: InChI=1S/C16H14BrFN6O2/c1-10-5-23(21-20-10)6-12-7-24(16(25)26-12)11-2-3-14(13(18)4-11)22-8-15(17)19-9-22/h2-5,8-9,12H,6-7H2,1H3/t12-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.50 | Manchester | 1 » 0 |