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: | 24 | |
|---|---|---|
| Name: | 3-cyanobenzaldehyde | |
| Description: | ||
| Labels: | ||
| CAS: | 24964-64-5 | |
| InChi Code: | InChI=1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H |
Properties
pEC50: Algal toxicity as log(1/EC50) [mM]
| Value | Source or prediction |
|---|---|
| -0.57 |
experimental value |
| -0.264 |
QSAR: Model for algal toxicity (Training set) |