Furuhama, A.; Hasunuma, K.; Aoki, Y. Interspecies quantitative structure–activity–activity relationships (QSAARs) for prediction of acute aquatic toxicity of aromatic amines and phenols. SAR QSAR Environ. Res. 2015, 26, 301–323.
Compound
| ID: | Tab1_36 | |
|---|---|---|
| Name: | Phenol, 4-octyl- | |
| Description: | ||
| Labels: | ||
| CAS: | 1806-26-4 | |
| InChi Code: | InChI=1S/C14H22O/c1-2-3-4-5-6-7-8-13-9-11-14(15)12-10-13/h9-12,15H,2-8H2,1H3 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 3.37 |
experimental value |
| 2.57 |
Eq.3: Model for aromatic amines and phenols (fish) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID9022312 | US EPA CompTox Dashboard |