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: | 28 | |
|---|---|---|
| Name: | 3-nitrotoluene | |
| Description: | ||
| Labels: | ||
| CAS: | 99-08-1 | |
| InChi Code: | InChI=1S/C7H7NO2/c1-6-3-2-4-7(5-6)8(9)10/h2-5H,1H3 |
Properties
pEC50: Algal toxicity as log(1/EC50) [mM]
| Value | Source or prediction |
|---|---|
| -0.5 |
experimental value |
| -0.169 |
QSAR: Model for algal toxicity (Training set) |