Molecule ID: mol25

SMILES: NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O

InChI: InChI=1S/C22H22N4O3/c23-17(9-13-11-24-18-7-3-1-5-15(13)18)21(27)26-20(22(28)29)10-14-12-25-19-8-4-2-6-16(14)19/h1-8,11-12,17,20,24-25H,9-10,23H2,(H,26,27)(H,28,29)

Experimental Macro pKa Values

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