Molecule ID: mol3011

SMILES: O=C1N(Cc2cccc3[nH]ccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2

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

Experimental Macro pKa Values

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