Molecule ID: mol20938

SMILES: CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)c(F)c(F)c1O

InChI: InChI=1S/C20H20ClF2N3O/c1-3-26(4-2)11-12-9-17(18(22)19(23)20(12)27)25-15-7-8-24-16-10-13(21)5-6-14(15)16/h5-10,27H,3-4,11H2,1-2H3,(H,24,25)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
3.42 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization