Molecule ID: mol816

SMILES: COC(=O)C[C@](C)(Cc1ccc([N+](=O)[O-])cc1)C(=O)O

InChI: InChI=1S/C13H15NO6/c1-13(12(16)17,8-11(15)20-2)7-9-3-5-10(6-4-9)14(18)19/h3-6H,7-8H2,1-2H3,(H,16,17)/t13-/m0/s1

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.40 Hunt 0 » -1
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Charge States and Microspecies Visualization