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_46
Name:3-Pyridinamine
Description:
Labels:
CAS:462-08-8
InChi Code:InChI=1S/C5H6N2/c6-5-2-1-3-7-4-5/h1-4H,6H2

Properties

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

ValueSource or prediction
2.11

experimental value

1.06

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

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