Molecule ID: mol19176

SMILES: CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCOCC2)n3CC(F)(F)F)CC1

InChI: InChI=1S/C23H30F3N3O3/c1-16(2)27-7-5-18(6-8-27)32-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-31-12-10-28/h3-4,13-14,16,18H,5-12,15H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization