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: | 31 | |
|---|---|---|
| Name: | 1-Octanol | |
| Description: | In the article descriptor values for Ethylbenzene and 1-Octanol were swapped | |
| Labels: | ||
| CAS: | 111-87-5 | |
| InChi Code: | InChI=1S/C8H18O/c1-2-3-4-5-6-7-8-9/h9H,2-8H2,1H3 |
Properties
logEC50: Bioluminescent Shk1 aquatic toxicity as logEC50 [log(mmol/L)] i
| Value | Source or prediction |
|---|---|
| -0.27 |
experimental value |
| 0.25 |
Table.8: Final model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID7021940 | US EPA CompTox Dashboard |