Table 3.
Calculated molecular properties
Compound | μ, D | CPK area A2 | CPK volume A3 | log P | μ/V, D/A3 | η, eV |
---|---|---|---|---|---|---|
1 | 4.5 | 238.11 | 210.7 | −2.17 | 0.021 | 0.109 |
2 | 6 | 232.13 | 201.7 | −0.58 | 0.026 | 0.087 |
3 | 5 | 245.53 | 219 | −1.01 | 0.023 | 0.099 |
4 | 11.9 | 222.68 | 204.2 | na | 0.058 | 0.089 |
5 | 4.2 | 260.12 | 231.1 | −1.935 | 0.018 | 0.108 |
6 | (−)8.6 | 267.02 | 236.5 | −2.07 | 0.036 | 0.077 |
7 | 1.9 | 259.86 | 230.9 | −1.04 | 0.008 | 0.108 |
8 | 6.1 | 260.66 | 231.2 | −1.68 | 0.026 | 0.113 |