Katritzky, A. R.; Kasemets, K.; Slavov, S.; Radzvilovits, M.; Tämm, K.; Karelson, M. Estimating the toxicities of organic chemicals in activated sludge process. Water Res. 2010, 44, 2451–2460.
Compound
| ID: | 2 | |
|---|---|---|
| Name: | Ethylbenzene | |
| Description: | In the article descriptor values for Ethylbenzene and 1-Octanol were swapped | |
| Labels: | ||
| CAS: | 100-41-4 | |
| InChi Code: | InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3 |
Properties
logEC50: Bioluminescent Shk1 aquatic toxicity as logEC50 [log(mmol/L)] i
| Value | Source or prediction |
|---|---|
| -0.27 |
experimental value |
| -0.05 |
Table.8: Final model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID3020596 | US EPA CompTox Dashboard |