Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for algae toxicity of benzene derivatives. Q13-32-0028. Molcode Ltd., 2009.
Compound
| ID: | 55 | |
|---|---|---|
| Name: | 1,3,5-trimethyl-2-nitrobenzene | |
| Description: | ||
| Labels: | ||
| CAS: | 603-71-4 | |
| InChi Code: | InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3 |
Properties
pEC50: Algal toxicity as log(1/EC50) [mM]
| Value | Source or prediction |
|---|---|
| 0.25 |
experimental value |
| 0.399 |
QSAR: Model for algal toxicity (Training set) |