Molecule ID: mol17642

SMILES: O=S(=O)(c1ccc(F)cc1)C1(F)CCN(CCc2ccc(F)cc2F)CC1

InChI: InChI=1S/C19H19F4NO2S/c20-15-3-5-17(6-4-15)27(25,26)19(23)8-11-24(12-9-19)10-7-14-1-2-16(21)13-18(14)22/h1-6,13H,7-12H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization