. 2021 Jul 12;6(29):18890–18903. doi: 10.1021/acsomega.1c02118

Table 4. cSAR(NH₂) Ranges of Variation, Δ_Y,I(II) (Y = NH₂ Group at the C6 Position of Adenine, Subscripts 1 and 2 Indicate Its Proximity Type), and Their Ratio with Respect to X = H Adenine Tautomers for Studied Solvents; ε from 1.0 (Gas Phase) up to 108.94 (Formamide).

				range of cSAR(NH₂) Δ_Y,I	range of cSAR(NH₂) Δ_Y,II	Δ_Y,I/Δ_H,I	Δ_Y,II/Δ_H,II
X	position of substitution	tautomers	type of proximity for X	9H or 3H	7H or 1H	9H or 3H	7H or 1H
NO₂	C8	9H, 7H	II-type	0.053	0.105	2.21	1.31
		3H, 1H	I-type	0.062	0.132	1.72	1.13
	C2	9H, 7H	I-type	0.040	0.102	1.67	1.28
		3H, 1H	II-type	0.052	0.112	1.44	0.96
H		9H, 7H		0.024	0.080
		3H, 1H		0.036	0.117
NH₂	C8	9H, 7H	II-type	0.007	0.056	0.29	0.70
		3H, 1H	I-type	0.017	0.104	0.47	0.89
	C2	9H, 7H	I-type	0.016	0.072	0.67	0.90
		3H, 1H	II-type	0.027	0.111	0.75	0.95

Table 4. cSAR(NH2) Ranges of Variation, ΔY,I(II) (Y = NH2 Group at the C6 Position of Adenine, Subscripts 1 and 2 Indicate Its Proximity Type), and Their Ratio with Respect to X = H Adenine Tautomers for Studied Solvents; ε from 1.0 (Gas Phase) up to 108.94 (Formamide).