Molecule ID: mol21545
SMILES: C[C@H]1OCC[C@H]2Oc3ccc(-c4cccnc4F)cc3[C@@]3(COC(N)=N3)[C@H]12
InChI: InChI=1S/C20H20FN3O3/c1-11-17-16(6-8-25-11)27-15-5-4-12(13-3-2-7-23-18(13)21)9-14(15)20(17)10-26-19(22)24-20/h2-5,7,9,11,16-17H,6,8,10H2,1H3,(H2,22,24)/t11-,16-,17-,20+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.40 | Baltruschat ChEMBL | 1 » 0 |