ChemAxon and everyone,
We are interested to know how (or if) we can use the protonation plugin to estimate the pKa of
protons on carbons, say protons alpha to a carbonyl, benzylic protons and so on.
An example of such an estimator is the SPARC-calculator ( http://ibmlc2.chem.uga.edu/sparc/ )
Is it possible in JChem/Marvin and if so, how do we approach this?