Molecule ID: mol34731

SMILES: CC(=O)Nc1ccc([N+](=O)[O-])c(C)c1C

InChI: InChI=1S/C10H12N2O3/c1-6-7(2)10(12(14)15)5-4-9(6)11-8(3)13/h4-5H,1-3H3,(H,11,13)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization