Molecule ID: mol37051

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

InChI: InChI=1S/C13H18N2O4/c1-7(2)11(13(18)19)15-5-10-9(6-16)4-14-8(3)12(10)17/h4-5,7,11,16-17H,6H2,1-3H3,(H,18,19)/t11-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.60 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization