Molecule ID: mol38063

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

InChI: InChI=1S/C21H28N4O2/c22-18(14-16-8-3-1-4-9-16)20(26)24-12-7-13-25-21(27)19(23)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15,22-23H2,(H,24,26)(H,25,27)/t18-,19-/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