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: | 1 | |
|---|---|---|
| Name: | 4-Nitrophenol | |
| Description: | In the article descriptor values for 4-Nitrophenol and 2,3,6-Trichlorophenol were swapped | |
| Labels: | ||
| CAS: | 100-02-7 | |
| InChi Code: | InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H |
Properties
logEC50: Bioluminescent Shk1 aquatic toxicity as logEC50 [log(mmol/L)] i
| Value | Source or prediction |
|---|---|
| -0.51 |
experimental value |
| 0.04 |
Table.8: Final model (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID0021834 | US EPA CompTox Dashboard |