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: | 12 | |
|---|---|---|
| Name: | pentan-3-one | |
| Description: | ||
| Labels: | ||
| CAS: | 96-22-0 | |
| InChi Code: | InChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3 |
Properties
pEC50: Algal toxicity as log(1/EC50) [mM]
| Value | Source or prediction |
|---|---|
| -2.23 |
experimental value |
| -1.896 |
QSAR: Model for algal toxicity (Training set) |