Molecule ID: mol568
SMILES: Cn1cc(C(=O)NC[C@@H](O)CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)c(C(F)(F)F)cc1=O
InChI: InChI=1S/C22H24Cl2F3N3O4/c1-29-12-16(17(9-20(29)32)22(25,26)27)21(33)28-10-13(31)11-30-6-4-14(5-7-30)34-15-2-3-18(23)19(24)8-15/h2-3,8-9,12-14,31H,4-7,10-11H2,1H3,(H,28,33)/t13-/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.80 | Hunt | 1 » 0 |