Molecule ID: mol18379

SMILES: CC(C)c1cc(Nc2cccc(C(F)(F)F)c2F)ncc1C(=O)NCC1CCOCC1

InChI: InChI=1S/C22H25F4N3O2/c1-13(2)15-10-19(29-18-5-3-4-17(20(18)23)22(24,25)26)27-12-16(15)21(30)28-11-14-6-8-31-9-7-14/h3-5,10,12-14H,6-9,11H2,1-2H3,(H,27,29)(H,28,30)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization