Structures and physicochemical propertied of bisphenols pharmaceuticals, and other types of pharmaceuticals.
| Name | Chemicals formula | Molecular structure | Molecular weight | pKa1/pKa2 | Log Kowa | Molecular size [Å]b |
|---|---|---|---|---|---|---|
| Bisphenol S | C12H10O4S |
|
250.27 | 7.42/8.03 | 1.65 | 4.23 |
| Bisphenol F | C13H12O2 |
|
200.23 | 9.84/10.45 | 3.06 | 4.15 |
| Bisphenol A | C15H16O2 |
|
228.29 | 9.78/10.39 | 3.32 | 4.36 |
| Bisphenol AF | C15H16F6O2 |
|
336.23 | 9.13/9.74 | 4.47 | 4.67 |
| Bisphenol B | C16H18O2 |
|
242.31 | 9.77/10.38 | 4.13 | 4.49 |
| Diclofenac | C14H11Cl2NO2 |
|
296.15 | 4.15 | 4.51 | 4.36 |
| Sulfamethoxazole | C10H11N3O3S |
|
253.28 | 1.6/5.7 | 0.89 | 4.13 |
a
Predicted data cited from http://chemspider.com, which are generated using the US Environmental Protection Agency's EPI Suite (KOWWIN v1.67).
b
The molecular size of pharmaceuticals were obtained from Material Studio 6.0.