Table 4.

External verification of multi-parameter QSRR models at different pH values.

Compound	pKa	logP	pH	Literature logD	Determined logD	Error (%)
4-Bromoaniline	3.89	2.05	7.0	2.05	1.83	−10.73
			8.0	2.05	1.81	−11.71
			9.0	2.05	1.85	−9.76
			10.0	2.05	1.81	−11.71
2-Ethylaniline	4.37	1.74	7.0	1.74	1.79	2.87
			8.0	1.74	1.77	1.72
			9.0	1.74	1.75	0.57
			10.0	1.74	1.71	−1.72
2-Ethylpyridine	5.97	1.67	7.0	1.63	1.62	−0.61
			8.0	1.67	1.62	−2.99
			9.0	1.67	1.60	−4.19
			10.0	1.67	1.65	−1.20
Dibenzylamine	8.76	3.03	7.0	1.26	1.52	20.63
			8.0	2.20	2.36	7.27
			9.0	2.83	2.81	−0.71
			10.0	3.00	3.00	0