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: | 45 | |
|---|---|---|
| Name: | 3,5-dinitroaniline | |
| Description: | ||
| Labels: | ||
| CAS: | 618-87-1 | |
| InChi Code: | InChI=1S/C6H5N3O4/c7-4-1-5(8(10)11)3-6(2-4)9(12)13/h1-3H,7H2 |
Properties
pEC50: Algal toxicity as log(1/EC50) [mM]
| Value | Source or prediction |
|---|---|
| 0.03 |
experimental value |
| 0.0932 |
QSAR: Model for algal toxicity (Training set) |