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: | F | |
|---|---|---|
| Name: | 2-fluoroaniline | |
| Description: | Prediction value (Eq.4) for this compound is probably errorneous in the article | |
| Labels: | ||
| CAS: | 348-54-9 | |
| InChi Code: | InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.17 |
experimental value |
| 1.71 |
Eq.3: Model for aromatic amines and phenols (fish) (Validation set) |
pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.51 |
experimental value |
| 1.25 |
Eq.4: Model for aromatic amines and phenols (algae) (Validation set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID8059843 | US EPA CompTox Dashboard |