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Partition coefficient

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Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
weight of evidence
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
Documentation about the justification is provided in attachment.

This endpoint study record is part of a Weight of Evidence approach comprising QSAR predictions.

Although the prediction shows some restrictions in terms of reliability, it's deemed to be adequate to support the registraton.
Qualifier:
equivalent or similar to
Guideline:
other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
Principles of method if other than guideline:
QSAR KOWWIN model
Partition coefficient type:
octanol-water
Specific details on test material used for the study:
The QSAR model was applied to each component of the substance. Since the result from the QSAR test was similar we choose to use as a test material the most abundant component of the substance: 2-(2-chlorophenyl)-1-[2-(2-chlorophenyl)-4,5-diphenylimidazol-1-yl]-4,5-diphenylimidazole.
Fourthemore, the tre different constituents of the multi constituent substance present a common structural portion (comon moiety) rappresented by the component chosen as the rappresentative one.
Analytical method:
other: REACH Guidance on QSARs R.6
Key result
Type:
log Pow
Partition coefficient:
ca. 11.76
Remarks on result:
other: temperature and pH value are not specified by the QSAR model.

Although the prediction shows some restrictions in terms of reliability, it's deemed to be adequate to support the registraton.

Conclusions:
The predicted LogP of the substance is equal to 11.76. Although the prediction shows some restrictions in terms of reliability, it's deemed to be adequate to support the registraton.

Description of key information

The predicted LogP of the substance is equal to 11.76.

Key value for chemical safety assessment

Log Kow (Log Pow):
11.76

Additional information