COc1cccc(CSc2nc3n(n2)C(c2cccnc2)C(C(=O)Nc2ccccc2C)=C(C)N3)c1
An acid's negative base-10 logarithmic dissociation constant (pka) follows directly from its underlying thermodynamics; pKa is directly proportional to its standard Gibbs free energy change. What is the pka value of this molecule?