Molecule ID: mol6472

SMILES: COC(=O)c1cccnc1C(=O)OC

InChI: InChI=1S/C9H9NO4/c1-13-8(11)6-4-3-5-10-7(6)9(12)14-2/h3-5H,1-2H3

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
-0.15 QSARToolbox 1 » 0
-0.15 OCHEM 1 » 0
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Charge States and Microspecies Visualization