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: | p40 | |
|---|---|---|
| Name: | Phenol, 4-nonyl-, branched | |
| Description: | ||
| Labels: | ||
| CAS: | 84852-15-3 | |
| InChi Code: | InChI=1S/C15H24O/c1-13(2)7-5-3-4-6-8-14-9-11-15(16)12-10-14/h9-13,16H,3-8H2,1-2H3 |
Properties
NOEC: Chronic fish toxicity as logNOEC [log(mmol/L)]
| Value | Source or prediction |
|---|---|
| -4.56 |
experimental value |
| -3.883 |
Tab3.Eq2: Polar narcosis (Training set) |
| -3.84 |
QMRF2: Polar narcosis (Training set) |