Molecule ID: mol18653

SMILES: Cc1nc2c3c(c(C(=O)NC4CC4)cn2c1C)CCC1(CCc2ccccc21)O3

InChI: InChI=1S/C24H25N3O2/c1-14-15(2)27-13-19(23(28)26-17-7-8-17)18-10-12-24(29-21(18)22(27)25-14)11-9-16-5-3-4-6-20(16)24/h3-6,13,17H,7-12H2,1-2H3,(H,26,28)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
6.76 Baltruschat ChEMBL 1 » 0
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Charge States and Microspecies Visualization