Registration Dossier
Registration Dossier
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EC number: 944-260-1 | CAS number: -
Partition coefficient
Administrative data
Link to relevant study record(s)
Description of key information
KOWWIN uses a "fragment constant" methodology to predict Log Kow.Predictions provided by KOWWIN are not supported by a specific parameter for reliability assessment, however the MW range of the training set compounds was used to define the limits of the applicability domain of the model.
For the target 2-Benzyl-4-(dimethylamino)butanoic acid, KOWWIN predicted a LogKow value of -0.80. Based on the overall good prediction accuracy of KOWWIN estimation methodology and the fact that the target chemical2-Benzyl-4-(dimethylamino)butanoic acid was included in the MW range of the training set (MW equal to 221.30), the KOWWIN prediction was assessed as moderate reliable.
Key value for chemical safety assessment
Additional information
The prediction was provided on the substance2-Benzyl-4-(dimethylamino)butanoic acid (CAS 1613 -23 -6), the acid form of the substance in the object of the registration.
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