Molecule ID: mol2838

SMILES: COC(=O)Cn1c(CN2CCC(Cc3ccccc3)CC2)nc2c1c(=O)n(C)c(=O)n2C

InChI: InChI=1S/C23H29N5O4/c1-25-21-20(22(30)26(2)23(25)31)28(15-19(29)32-3)18(24-21)14-27-11-9-17(10-12-27)13-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3

Experimental Macro pKa Values

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