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: | p28 | |
|---|---|---|
| Name: | 2,4-dimethylphenol | |
| Description: | ||
| Labels: | ||
| CAS: | 105-67-9 | |
| InChi Code: | InChI=1S/C8H10O/c1-6-3-4-8(9)7(2)5-6/h3-5,9H,1-2H3 |
Properties
NOEC: Chronic fish toxicity as logNOEC [log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -1.68 |
experimental value |
| -1.971 |
Tab3.Eq2: Polar narcosis (Training set) |
| -1.876 |
QMRF2: Polar narcosis (Training set) |