Molecule ID: mol19185

SMILES: CC(C)N1CCC(Nc2ccc3[nH]c(C(=O)N4CCOCC4)cc3c2)CC1

InChI: InChI=1S/C21H30N4O2/c1-15(2)24-7-5-17(6-8-24)22-18-3-4-19-16(13-18)14-20(23-19)21(26)25-9-11-27-12-10-25/h3-4,13-15,17,22-23H,5-12H2,1-2H3

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization