10967/195 - QDB Compounds

QsarDB Repository

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)]

ValueSource 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)]

ValueSource or prediction
0.51

experimental value

1.25

Eq.4: Model for aromatic amines and phenols (algae) (Validation set)

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