Molecule ID: mol2822

SMILES: CCc1ccccc1N(CC)C(=O)C1CCN(c2ncnc3c2nc2n3CCCCC2)CC1

InChI: InChI=1S/C26H34N6O/c1-3-19-10-7-8-11-21(19)31(4-2)26(33)20-13-16-30(17-14-20)24-23-25(28-18-27-24)32-15-9-5-6-12-22(32)29-23/h7-8,10-11,18,20H,3-6,9,12-17H2,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.90 Novartis 1 » 0
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Charge States and Microspecies Visualization