Molecule ID: mol18813
SMILES: NCC(=O)NCCC[C@H](N)C(=O)Nc1ccc(C#Cc2c(F)c(F)nc(F)c2F)cc1
InChI: InChI=1S/C20H19F4N5O2/c21-16-13(17(22)19(24)29-18(16)23)8-5-11-3-6-12(7-4-11)28-20(31)14(26)2-1-9-27-15(30)10-25/h3-4,6-7,14H,1-2,9-10,25-26H2,(H,27,30)(H,28,31)/t14-/m0/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 7.00 | Baltruschat ChEMBL | 2 » 1 |
| 7.20 | Baltruschat ChEMBL | 2 » 1 |
| 7.70 | Baltruschat ChEMBL | 2 » 1 |