Molecule ID: mol37432

SMILES: COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OC(C)(C)C

InChI: InChI=1S/C12H19N3O4/c1-12(2,3)19-11(17)15-9(10(16)18-4)5-8-6-13-7-14-8/h6-7,9H,5H2,1-4H3,(H,13,14)(H,15,17)/t9-/m0/s1

Experimental Macro pKa Values

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