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:	J
	Name:	4-nitroaniline
	Description:
	Labels:
	CAS:	100-01-6
	InChi Code:	InChI=1S/C6H6N2O2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H,7H2

Properties

pLC50: 96-h acute fish toxicity as log(1/LC50) [-log(mmol/L)]

Value	Source or prediction
0.21	experimental value
0.15	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
0.27	Eq.4: Model for aromatic amines and phenols (algae) (Validation set)

Links to External Resources

Link	Resource description
DTXSID8020961	US EPA CompTox Dashboard