Molecule ID: mol37405

SMILES: Cc1ncc(CO)c(CN[C@@H](CC(=O)O)C(=O)O)c1O

InChI: InChI=1S/C12H16N2O6/c1-6-11(18)8(7(5-15)3-13-6)4-14-9(12(19)20)2-10(16)17/h3,9,14-15,18H,2,4-5H2,1H3,(H,16,17)(H,19,20)/t9-/m0/s1

Experimental Macro pKa Values

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