Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
2010
Reliability:
2 (reliable with restrictions)
Justification for type of information:
QSAR prediction: migrated from IUCLID 5.6

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2010
Report Date:
2010

Materials and methods

Test guideline
Qualifier:
no guideline followed
Principles of method if other than guideline:
In silico prediction using DEREK.
DEREK is a knowledge-based expert system designed to apply structure-activity relationships to compounds for which little or no data exists and hence to aid in the assessment of their potential toxicity. The DEREK knowledge base contains a large number of rules that associate a chemical structure with one or more toxicity end points. When a structural alert is identified a reasoning programme assigns a probability to the expression of toxicity by the test compound.
GLP compliance:
not specified
Type of method:
other: In silico prediction
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent

Results and discussion

Partition coefficient
Type:
log Pow
Partition coefficient:
1.922
Remarks on result:
other: Temperature and pH value are not available

Applicant's summary and conclusion

Conclusions:
Log Pow = 1.922