10967/195 - QDB Compounds

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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_1
Name:Guanidine, N,N'-diphenyl-
Description:
Labels:
CAS:102-06-7
InChi Code:InChI=1S/C13H13N3/c14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10H,(H3,14,15,16)

Properties

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

ValueSource or prediction
1.44

experimental value

1.41

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

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