Molecule ID: mol16410

SMILES: CN(C)C1(C)CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1

InChI: InChI=1S/C19H21F2N3O3/c1-19(22(2)3)8-23(9-19)16-13(20)6-11-15(14(16)21)24(10-4-5-10)7-12(17(11)25)18(26)27/h6-7,10H,4-5,8-9H2,1-3H3,(H,26,27)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization