Molecule ID: mol19459

SMILES: CCOc1cc(CN2CCC(NC(=O)c3ccc(N)nc3)CC2)cc(OCc2ccccc2)c1-c1ccc(F)cc1

InChI: InChI=1S/C33H35FN4O3/c1-2-40-29-18-24(21-38-16-14-28(15-17-38)37-33(39)26-10-13-31(35)36-20-26)19-30(41-22-23-6-4-3-5-7-23)32(29)25-8-11-27(34)12-9-25/h3-13,18-20,28H,2,14-17,21-22H2,1H3,(H2,35,36)(H,37,39)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization