Molecule ID: mol3005

SMILES: O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1ccccc1

InChI: InChI=1S/C24H26N4O/c29-23-11-6-12-24(28(23)18-19-7-2-1-3-8-19)13-15-27(16-14-24)22-17-25-20-9-4-5-10-21(20)26-22/h1-5,7-10,17H,6,11-16,18H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.30 Novartis 2 » 1
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Charge States and Microspecies Visualization