Molecule ID: mol19033

SMILES: Cc1cccc(C)c1CNc1nc(N2CCCC2=O)cc2c(C)c(C)[nH]c12

InChI: InChI=1S/C22H26N4O/c1-13-7-5-8-14(2)18(13)12-23-22-21-17(15(3)16(4)24-21)11-19(25-22)26-10-6-9-20(26)27/h5,7-8,11,24H,6,9-10,12H2,1-4H3,(H,23,25)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization