Molecule ID: mol2832

SMILES: CNC(=O)c1c(NCC2CCC3(CCC3)CC2)nc(C#N)nc1OCCC1CCN(C)CC1

InChI: InChI=1S/C25H38N6O2/c1-27-23(32)21-22(28-17-19-4-11-25(12-5-19)9-3-10-25)29-20(16-26)30-24(21)33-15-8-18-6-13-31(2)14-7-18/h18-19H,3-15,17H2,1-2H3,(H,27,32)(H,28,29,30)

Experimental Macro pKa Values

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