Molecule ID: mol37734

SMILES: N[C@@H](Cc1c[nH]cn1)C(=O)NCC(=O)NCC(=O)O

InChI: InChI=1S/C10H15N5O4/c11-7(1-6-2-12-5-15-6)10(19)14-3-8(16)13-4-9(17)18/h2,5,7H,1,3-4,11H2,(H,12,15)(H,13,16)(H,14,19)(H,17,18)/t7-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
3.10 QSARToolbox 2 » 1
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Charge States and Microspecies Visualization