Molecule ID: mol19460

SMILES: CCOc1cc(CN2CCC(NC(=O)c3ccc(NC)nc3)CC2)cc(OCC)c1F

InChI: InChI=1S/C23H31FN4O3/c1-4-30-19-12-16(13-20(22(19)24)31-5-2)15-28-10-8-18(9-11-28)27-23(29)17-6-7-21(25-3)26-14-17/h6-7,12-14,18H,4-5,8-11,15H2,1-3H3,(H,25,26)(H,27,29)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization