Molecule ID: mol37700

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

InChI: InChI=1S/C10H14N4O5/c11-6(2-8(15)16)9(17)14-7(10(18)19)1-5-3-12-4-13-5/h3-4,6-7H,1-2,11H2,(H,12,13)(H,14,17)(H,15,16)(H,18,19)/t6-,7+/m0/s1

Experimental Macro pKa Values

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