Molecule ID: mol18871

SMILES: Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCN(C)CC4)cc3)ncc2F)n1C(C)C

InChI: InChI=1S/C23H28FN7O/c1-15(2)31-16(3)25-14-20(31)21-19(24)13-26-23(28-21)27-18-7-5-17(6-8-18)22(32)30-11-9-29(4)10-12-30/h5-8,13-15H,9-12H2,1-4H3,(H,26,27,28)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization