Molecule ID: mol38229

SMILES: O=C(O)CCC(=O)NCc1nc2ccccc2[nH]1

InChI: InChI=1S/C12H13N3O3/c16-11(5-6-12(17)18)13-7-10-14-8-3-1-2-4-9(8)15-10/h1-4H,5-7H2,(H,13,16)(H,14,15)(H,17,18)

Experimental Macro pKa Values

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