Table 6.

Chromatographically determined and computationally estimated log⁡K _OW values of studied ruthenium complexes.

Comp.	Chromatographically determined							Estimated
	Model number							Based on ab initio (DFT) computations
	1	2	3	4	5	6	7	ΔG sol (oct) (kcal/mol)	ΔG sol (water) (kcal/mol)	log⁡K OW
Ru-1	4.26 ± 0.37	4.03 ± 0.38	4.19 ± 0.42	4.31 ± 0.56	4.31 ± 0.28	4.38 ± 0.34	3.72	−13.85	−19.81	4.36
Ru-2	4.13 ± 0.37	3.91 ± 0.37	4.09 ± 0.41	4.13 ± 0.55	4.39 ± 0.28	4.63 ± 0.35	3.65	−13.27	−19.35	4.45
Ru-3	4.13 ± 0.37	3.91 ± 0.37	4.09 ± 0.41	3.74 ± 0.52	4.38 ± 0.28	4.68 ± 0.36	3.97	−9.99	−17.63	5.59
Ru-4	3.42 ± 0.33	3.43 ± 0.35	3.50 ± 0.38	3.86 ± 0.52	3.52 ± 0.25	3.47 ± 0.30	2.91	−14.48	−19.60	3.75
Ru-5	3.18 ± 0.32	3.24 ± 0.34	3.08 ± 0.36	3.63 ± 0.51	3.47 ± 0.24	3.59 ± 0.30	2.63	−14.99	−19.97	3.65
Ru-6	1.81 ± 0.30	1.72 ± 0.32	1.81 ± 0.34	1.99 ± 0.45	2.00 ± 0.22	2.11 ± 0.27	1.63	−20.77	−23.24	1.81
Ru-7	1.15 ± 0.31	1.07 ± 0.33	1.15 ± 0.35	1.24 ± 0.46	0.98 ± 0.23	0.87 ± 0.28	1.14	−20.51	−22.57	1.50
Ru-8	1.61 ± 0.30	1.59 ± 0.32	1.68 ± 0.34	1.49 ± 0.45	1.88 ± 0.22	2.09 ± 0.27	1.78	−19.35	−21.61	1.66
Ru-9	2.33 ± 0.30	2.36 ± 0.32	2.39 ± 0.34	2.55 ± 0.46	2.44 ± 0.22	2.46 ± 0.27	2.14	−16.88	−19.70	2.06
Ru-10	2.99 ± 0.32	2.80 ± 0.33	2.56 ± 0.34	2.87 ± 0.47	3.27 ± 0.24	3.63 ± 0.31	2.59	−15.64	−19.15	2.57