. 2018 Apr 5;3(4):3835–3850. doi: 10.1021/acsomega.8b00142

Table 8. Bond Lengths, Experimental Values,²⁵ and AIBLHiCoS Predictions Using the Linear Equation of Model A, Expressing pK_a as a Function of the C=N Bond Length (pK_a = 448.9 × r(C=N) – 561.15) for Phenylguanidines (G) and Pyridylguanidines (PG)^a.

Predictions using ChemAxon software are also shown for both tautomer A and tautomer C. Compounds are shown in their most stable tautomer, C.

Table 8. Bond Lengths, Experimental Values,25 and AIBLHiCoS Predictions Using the Linear Equation of Model A, Expressing pKa as a Function of the C=N Bond Length (pKa = 448.9 × r(C=N) – 561.15) for Phenylguanidines (G) and Pyridylguanidines (PG)a.