Molecule ID: mol19182

SMILES: O=C(c1cc2cc(OC3CCN(C4CCC4)CC3)ccc2n1CC(F)(F)F)N1CCOCC1

InChI: InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization