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Physical & Chemical properties

Partition coefficient

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Administrative data

Link to relevant study record(s)

Description of key information

An experimental study was not performed because measurements should be made on ionizable substances only in their non-ionized form (test guideline A.8). The calculation was performed using KOWWIN v.1.68 (U.S. Environmental Protection Agency) on a personal computer running Windows XP. The structure is entered into KOWWIN by SMILES notations. KOWWIN uses a "fragment constant" methodology to predict log KOW. For a complete description of KOWWIN's methodology see W.M. Meylan and P.H. Howard, "Atom/Fragment Contribution Method for Estimating Octanol-Water Partition Coefficients", Journal of Pharmaceutical Sciences, Vol. 84, No. 1, January 1995, p. 83 - 91.

Key value for chemical safety assessment

Log Kow (Log Pow):

Additional information

The calculation can be considered reliable and suitable for use as the key study for this endpoint.