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:Tab2_50
Name:Benzenamine, 2,5-diethoxy-4-(4-morpholinyl)-
Description:
Labels:
CAS:51963-82-7
InChi Code:InChI=1S/C14H22N2O3/c1-3-18-13-10-12(16-5-7-17-8-6-16)14(19-4-2)9-11(13)15/h9-10H,3-8,15H2,1-2H3

Properties

pEC50: 72-h acute algae toxicity as log(1/EC50) [-log(mmol/L)]

ValueSource or prediction
1.56

experimental value

0.83

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

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