Molecule ID: mol19036

SMILES: Cc1cccc(C)c1CNc1nc(N2CCOCC2=O)cc2c(C)c(C)n(CCO)c12

InChI: InChI=1S/C24H30N4O3/c1-15-6-5-7-16(2)20(15)13-25-24-23-19(17(3)18(4)27(23)8-10-29)12-21(26-24)28-9-11-31-14-22(28)30/h5-7,12,29H,8-11,13-14H2,1-4H3,(H,25,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization