Molecule ID: mol19464

SMILES: CCOc1cc(CN2CC(NC(=O)c3cncc(C)c3)C2)cc(OCC)c1F

InChI: InChI=1S/C21H26FN3O3/c1-4-27-18-7-15(8-19(20(18)22)28-5-2)11-25-12-17(13-25)24-21(26)16-6-14(3)9-23-10-16/h6-10,17H,4-5,11-13H2,1-3H3,(H,24,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization