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: | Tab2_52 | |
|---|---|---|
| Name: | Malachite green | |
| Description: | CAS number corresponds to the chloride salt | |
| Labels: | ||
| CAS: | 569-64-2 | |
| InChi Code: | InChI=1S/C23H25ClN2/c1-25(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)26(3,4)24/h5-17H,1-4H3 |
Properties
pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]
| Value | Source or prediction |
|---|---|
| 2.52 |
experimental value |
| 3.56 |
Eq.4: Model for aromatic amines and phenols (algae) (Training set) |