Molecule ID: mol20940

SMILES: CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1F

InChI: InChI=1S/C20H21ClFN3/c1-3-25(4-2)13-14-11-16(6-8-18(14)22)24-19-9-10-23-20-12-15(21)5-7-17(19)20/h5-12H,3-4,13H2,1-2H3,(H,23,24)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
4.39 Baltruschat ChEMBL 2 » 1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization