Molecule ID: mol19451

SMILES: CCOc1cc(CN2CCC(NC(=O)c3cncc(C)c3)CC2)ccc1C

InChI: InChI=1S/C22H29N3O2/c1-4-27-21-12-18(6-5-17(21)3)15-25-9-7-20(8-10-25)24-22(26)19-11-16(2)13-23-14-19/h5-6,11-14,20H,4,7-10,15H2,1-3H3,(H,24,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization