CC1=C(C(=O)Nc2ccccc2)C(c2ccccn2)n2nc(CCCO)nc2N1
The negative base-10 logarithmic of dissociation constant (pka) for an acid is a direct consequence of the underlying thermodynamics of the dissociation reaction; the pKa value is directly proportional to the standard Gibbs free energy change for the reaction. What is the pka value of this molecule?