Molecule ID: mol20531

SMILES: O=C(CCCN1CC[Si](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1

InChI: InChI=1S/C20H23ClFNO2Si/c21-17-5-9-19(10-6-17)26(25)14-12-23(13-15-26)11-1-2-20(24)16-3-7-18(22)8-4-16/h3-10,25H,1-2,11-15H2

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization