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: | 90 | |
|---|---|---|
| Name: | 2,4-di-tert-butylphenol | |
| Description: | ||
| Labels: | ||
| CAS: | 96-76-4 | |
| InChi Code: | InChI=1S/C14H22O/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6/h7-9,15H,1-6H3 |
Properties
pEC50: Algal toxicity as log(1/EC50) [mM]
| Value | Source or prediction |
|---|---|
| 1.6 |
experimental value |
| 0.979 |
QSAR: Model for algal toxicity (Test set) |