Molecule ID: mol18205

SMILES: CC(C)N1CCC(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)CC1

InChI: InChI=1S/C22H27FN2O2/c1-16(2)25-12-10-18(11-13-25)22(26)24-20-4-3-5-21(14-20)27-15-17-6-8-19(23)9-7-17/h3-9,14,16,18H,10-13,15H2,1-2H3,(H,24,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization