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. 2018 Aug 7;19(8):2318. doi: 10.3390/ijms19082318

Table 1.

Structure of ring-substituted (2E)-N-aryl-3-phenylprop-2-enamides 116, experimentally determined values of lipophilicity log k, calculated values of log P/Clog P, and electronic Hammett’s σ parameters.

graphic file with name ijms-19-02318-i001.jpg

Comp. R log k Clog P a log P b σAr b
1 H 0.1146 3.6640 3.18 0.60
2 3-CH3 0.2729 4.1630 3.40 0.48
3 4-CH3 0.2640 4.1630 3.40 0.46
4 2-F 0.1330 3.4646 3.17 1.02
5 3-F 0.2327 4.0646 3.32 0.82
6 3-CF3 0.4859 4.9978 4.26 0.89
7 2,5-CH3 0.2691 4.0120 3.57 0.59
8 2,5-Cl 0.5799 4.5878 4.65 1.22
9 2,6-Cl 0.0632 3.7378 4.56 1.33
10 3,4-Cl 0.6821 5.3178 4.70 1.19
11 3,5-Cl 0.8155 5.4378 4.79 1.11
12 2,6-Br 0.0992 3.9778 4.80 1.33
13 3,5-CF3 0.9814 6.0386 5.68 1.05
14 2-F-5-Br 0.4875 4.4178 4.07 1.28
15 2-Br-5-F 0.4588 4.1378 4.12 1.19
16 2-Cl-5-CF3 0.6178 4.9509 4.88 1.19

a calculated using ChemBioDraw Ultra 13.0; bcalculated using ACD/Percepta ver. 2012.