Molecule ID: mol35853

SMILES: CCOC(=O)/C1=C/N(Cc2ccccc2)CCc2[nH]c(C(=O)C(F)(F)F)cc2C1

InChI: InChI=1S/C21H21F3N2O3/c1-2-29-20(28)16-10-15-11-18(19(27)21(22,23)24)25-17(15)8-9-26(13-16)12-14-6-4-3-5-7-14/h3-7,11,13,25H,2,8-10,12H2,1H3/b16-13+

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
6.29 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization