Tulp, I.; Tamm, T.; Karelson, G.; Dobchev, D.; Martin, D.; Tämm, K.; Savchenko, D.; Jänes, J.; Härk, E.; Kreegipuu, A.; Karelson, M. QSAR for acute toxicity to Daphnia magna. Q13-31-0060. 2010.
Compound
| ID: | 22 | |
|---|---|---|
| Name: | 4-tert-octylphenol | |
| Description: | ||
| Labels: | ||
| CAS: | 140-66-9 | |
| InChi Code: | InChI=1S/C14H22O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11/h6-9,15H,10H2,1-5H3 |
Properties
logLC50: 48-h Daphnia toxicity as log(LC50) [mol/L]
| Value | Source or prediction |
|---|---|
| -6.36 |
experimental value |
| -4.52 |
QSAR: Model for Daphnia toxicity (Tarining set) |