Molecule ID: mol2975

SMILES: O=C(Cc1ccccc1)N1CCCC12CCN(c1cnc3ccccc3n1)CC2

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

Experimental Macro pKa Values

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