Registration Dossier
Registration Dossier
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EC number: 213-493-4 | CAS number: 959-14-8
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- JUne, 2010
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- study report
- Title:
- Unnamed
- Year:
- 2 010
- Report date:
- 2010
Materials and methods
Test guideline
- Qualifier:
- no guideline available
- Principles of method if other than guideline:
- In silico prediction using DEREK for windows version 11.0.0.
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:
- no
- Type of method:
- other: in silico prediction
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- Oxolamine
- EC Number:
- 213-493-4
- EC Name:
- Oxolamine
- Cas Number:
- 959-14-8
- Molecular formula:
- C14H19N3O
- IUPAC Name:
- diethyl[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amine
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 2.393
- Remarks on result:
- other: Temperature and pH value are not available
Applicant's summary and conclusion
- Conclusions:
- Log P = 2.393 obtained from external source, used in the in silico prediction.
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