Molecule ID: mol38584

SMILES: CNC(Cc1c(C)cc(O)cc1C)C(=O)O

InChI: InChI=1S/C12H17NO3/c1-7-4-9(14)5-8(2)10(7)6-11(13-3)12(15)16/h4-5,11,13-14H,6H2,1-3H3,(H,15,16)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
9.75 QSARToolbox -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization