Molecule ID: mol2865

SMILES: COc1ccc2[nH]cc(CN3CCCC4(CCN(c5nc(C)cc(C)n5)CC4)C3=O)c2c1

InChI: InChI=1S/C25H31N5O2/c1-17-13-18(2)28-24(27-17)29-11-8-25(9-12-29)7-4-10-30(23(25)31)16-19-15-26-22-6-5-20(32-3)14-21(19)22/h5-6,13-15,26H,4,7-12,16H2,1-3H3

Experimental Macro pKa Values

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