Molecule ID: mol18660

SMILES: Cc1nc2c3c(c(C(=O)Nc4ccccc4)cn2c1C)CCC1(CCc2ccccc21)O3

InChI: InChI=1S/C27H25N3O2/c1-17-18(2)30-16-22(26(31)29-20-9-4-3-5-10-20)21-13-15-27(32-24(21)25(30)28-17)14-12-19-8-6-7-11-23(19)27/h3-11,16H,12-15H2,1-2H3,(H,29,31)

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