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_107 | |
|---|---|---|
| Name: | Benzoic acid, 4-hydroxy-, methyl ester | |
| Description: | ||
| Labels: | ||
| CAS: | 99-76-3 | |
| InChi Code: | InChI=1S/C8H8O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5,9H,1H3 |
Properties
pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 0.4 |
experimental value |
| 0.51 |
Eq.3: Model for aromatic amines and phenols (fish) (Training set) |
Links to External Resources
| Link | Resource description |
|---|---|
| DTXSID4022529 | US EPA CompTox Dashboard |