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: | 76 | |
|---|---|---|
| Name: | trans-2-hexenal | |
| Description: | ||
| Labels: | ||
| CAS: | 6728-26-3 | |
| InChi Code: | InChI=1S/C6H10O/c1-2-3-4-5-6-7/h4-6H,2-3H2,1H3/b5-4+ |
Properties
pEC50: Algal toxicity as log(1/EC50) [mM]
| Value | Source or prediction |
|---|---|
| -1.94 |
experimental value |
| -2.105 |
QSAR: Model for algal toxicity (Test set) |