Molecule ID: mol36521

SMILES: CN1[C@@H]2CC=C(C(=O)O)[C@H]1CC2

InChI: InChI=1S/C9H13NO2/c1-10-6-2-4-7(9(11)12)8(10)5-3-6/h4,6,8H,2-3,5H2,1H3,(H,11,12)/t6-,8-/m1/s1

Experimental Macro pKa Values

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