Molecule ID: mol38064

SMILES: N[C@@H](Cc1ccccc1)C(=O)NCCNC(=O)[C@@H](N)Cc1ccccc1

InChI: InChI=1S/C20H26N4O2/c21-17(13-15-7-3-1-4-8-15)19(25)23-11-12-24-20(26)18(22)14-16-9-5-2-6-10-16/h1-10,17-18H,11-14,21-22H2,(H,23,25)(H,24,26)/t17-,18-/m0/s1

Experimental Macro pKa Values

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