Molecule ID: mol37285

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

InChI: InChI=1S/C11H16N2O4/c1-6-10(15)9(8(5-14)3-12-6)4-13-7(2)11(16)17/h3,7,13-15H,4-5H2,1-2H3,(H,16,17)/t7-/m0/s1

Experimental Macro pKa Values

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