Molecule ID: mol18539
SMILES: C[C@@H]1CN(Cc2ccccc2)c2cncc(F)c2[C@H](C)N1C(=O)NCc1ccccc1
InChI: InChI=1S/C25H27FN4O/c1-18-16-29(17-21-11-7-4-8-12-21)23-15-27-14-22(26)24(23)19(2)30(18)25(31)28-13-20-9-5-3-6-10-20/h3-12,14-15,18-19H,13,16-17H2,1-2H3,(H,28,31)/t18-,19+/m1/s1
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 4.20 | Baltruschat ChEMBL | 1 » 0 |