Molecule ID: mol35169

SMILES: CCC1=C(C)C(=O)N/C1=C\c1[nH]c(C)c(CC(=O)O)c1C

InChI: InChI=1S/C16H20N2O3/c1-5-11-9(3)16(21)18-14(11)7-13-8(2)12(6-15(19)20)10(4)17-13/h7,17H,5-6H2,1-4H3,(H,18,21)(H,19,20)/b14-7-

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
4.49 QSARToolbox 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization