Molecule ID: mol17903
SMILES: O=c1[nH]ccc(N[C@H]2CC[C@@H](NCC(F)F)CC2)c1-c1nc2ccccc2[nH]1
InChI: InChI=1S/C20H23F2N5O/c21-17(22)11-24-12-5-7-13(8-6-12)25-16-9-10-23-20(28)18(16)19-26-14-3-1-2-4-15(14)27-19/h1-4,9-10,12-13,17,24H,5-8,11H2,(H,26,27)(H2,23,25,28)/t12-,13+
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 6.60 | Baltruschat ChEMBL | 2 » 1 |