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Administrative data

partition coefficient
Type of information:
Adequacy of study:
other information
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with limited documentation / justification

Data source

Reference Type:
other: QSAR-tool
Estimation Program Interface EPI Suite (TM) v4.11: KOWWIN v. 1.68 for estimation of log Kow
United States Environmental Protection Agency, Washington, DC, USA.
Bibliographic source:

Materials and methods

Principles of method if other than guideline:
The EPI Suite™ method that estimates Kow is KOWWIN and it uses a "fragment constant" method to predict Kow. In the "fragment constant" method, a molecule is divided into fragments (atoms or larger functional groups) and the assigned coefficient values for each fragment are added to give the Kow estimate.

Results and discussion

Partition coefficient
log Pow
Partition coefficient:

Applicant's summary and conclusion