Molecule ID: mol37428

SMILES: Cc1ncc(CO)c(CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)c1O

InChI: InChI=1S/C19H21N3O4/c1-11-18(24)15(13(10-23)8-20-11)9-22-17(19(25)26)6-12-7-21-16-5-3-2-4-14(12)16/h2-5,7-8,17,21-24H,6,9-10H2,1H3,(H,25,26)/t17-/m0/s1

Experimental Macro pKa Values

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