Molecule ID: mol19714

SMILES: CN1CCC2(CC1)CNC(=O)c1cc(-c3ccnc(NC(=O)c4ccc5ccccc5c4)c3)[nH]c12

InChI: InChI=1S/C28H27N5O2/c1-33-12-9-28(10-13-33)17-30-27(35)22-16-23(31-25(22)28)20-8-11-29-24(15-20)32-26(34)21-7-6-18-4-2-3-5-19(18)14-21/h2-8,11,14-16,31H,9-10,12-13,17H2,1H3,(H,30,35)(H,29,32,34)

Experimental Macro pKa Values

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