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: | 77 | |
|---|---|---|
| Name: | 2-heptanone | |
| Description: | ||
| Labels: | ||
| CAS: | 110-43-0 | |
| InChi Code: | InChI=1S/C7H14O/c1-3-4-5-6-7(2)8/h3-6H2,1-2H3 |
Properties
pEC50: Algal toxicity as log(1/EC50) [mM]
| Value | Source or prediction |
|---|---|
| -1.18 |
experimental value |
| -1.447 |
QSAR: Model for algal toxicity (Test set) |