Molecule ID: mol19032

SMILES: Cc1cccc(C)c1CNc1nc(-n2ccccc2=O)cc2c(C)c(C)[nH]c12

InChI: InChI=1S/C23H24N4O/c1-14-8-7-9-15(2)19(14)13-24-23-22-18(16(3)17(4)25-22)12-20(26-23)27-11-6-5-10-21(27)28/h5-12,25H,13H2,1-4H3,(H,24,26)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization