Molecule ID: mol16093

SMILES: CCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(F)c(N3CCOCC3)cc21

InChI: InChI=1S/C25H28FN3O3/c1-2-3-9-29-17-20(25(31)27-16-18-7-5-4-6-8-18)24(30)19-14-21(26)23(15-22(19)29)28-10-12-32-13-11-28/h4-8,14-15,17H,2-3,9-13,16H2,1H3,(H,27,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization