Molecule ID: mol19183

SMILES: O=C(c1cc2cc(OC3CCN(C4COC4)CC3)ccc2n1CC(F)(F)F)N1CCOCC1

InChI: InChI=1S/C23H28F3N3O4/c24-23(25,26)15-29-20-2-1-19(33-18-3-5-27(6-4-18)17-13-32-14-17)11-16(20)12-21(29)22(30)28-7-9-31-10-8-28/h1-2,11-12,17-18H,3-10,13-15H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.40 Baltruschat ChEMBL 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization