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: | 89 | |
|---|---|---|
| Name: | 2,6-di-tert-butyl-4-methyl phenol | |
| Description: | ||
| Labels: | ||
| CAS: | 128-37-0 | |
| InChi Code: | InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3 |
Properties
pEC50: Algal toxicity as log(1/EC50) [mM]
| Value | Source or prediction |
|---|---|
| 1.45 |
experimental value |
| 1.517 |
QSAR: Model for algal toxicity (Test set) |