Molecule ID: mol18866

SMILES: Cc1ncc(-c2nc(Nc3ccc(C(=O)NC4CCN(C)CC4)c(F)c3)ncc2F)n1C(C)C

InChI: InChI=1S/C24H29F2N7O/c1-14(2)33-15(3)27-13-21(33)22-20(26)12-28-24(31-22)30-17-5-6-18(19(25)11-17)23(34)29-16-7-9-32(4)10-8-16/h5-6,11-14,16H,7-10H2,1-4H3,(H,29,34)(H,28,30,31)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization