Molecule ID: mol19448

SMILES: CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1-c1ccc(C(F)(F)F)cc1

InChI: InChI=1S/C28H30F3N3O2/c1-3-36-26-15-20(4-9-25(26)21-5-7-23(8-6-21)28(29,30)31)18-34-12-10-24(11-13-34)33-27(35)22-14-19(2)16-32-17-22/h4-9,14-17,24H,3,10-13,18H2,1-2H3,(H,33,35)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization