Molecule ID: mol3009

SMILES: O=C1N(Cc2c[nH]c3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2

InChI: InChI=1S/C26H27N5O/c32-25-26(10-5-13-31(25)18-19-16-27-21-7-2-1-6-20(19)21)11-14-30(15-12-26)24-17-28-22-8-3-4-9-23(22)29-24/h1-4,6-9,16-17,27H,5,10-15,18H2

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