Claeys, L.; Iaccino, F.; Janssen, C. R.; Van Sprang, P.; Verdonck, F. Development and validation of a quantitative structure-activity relationship for chronic narcosis to fish. Environ. Toxicol. Chem. 2013, 32, 2217–2225.
Compound
| ID: | np6 | |
|---|---|---|
| Name: | 4-methyl-2-pentanone | |
| Description: | ||
| Labels: | ||
| CAS: | 108-10-1 | |
| InChi Code: | InChI=1S/C6H12O/c1-5(2)4-6(3)7/h5H,4H2,1-3H3 |
Properties
NOEC: Chronic fish toxicity as logNOEC [log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -0.112 |
experimental value |
| -0.341 |
Tab3.Eq1: Nonpolar narcosis (Training set) |
| -0.338 |
QMRF1: Nonpolar narcosis (Training set) |