Registration Dossier
Registration Dossier
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EC number: 243-317-1 | CAS number: 19794-93-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- key study
- Study period:
- JUne, 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:
- 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:
- Trazodone
- EC Number:
- 243-317-1
- EC Name:
- Trazodone
- Cas Number:
- 19794-93-5
- Molecular formula:
- C19H22ClN5O
- IUPAC Name:
- 2-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
Constituent 1
Results and discussion
Partition coefficient
- Type:
- log Pow
- Partition coefficient:
- 3.85
- Remarks on result:
- other: Temperature and pH value are not available
Applicant's summary and conclusion
- Conclusions:
- Log P = 3.85 obtained from external source, used in the in silico prediction.
Information on Registered Substances comes from registration dossiers which have been assigned a registration number. The assignment of a registration number does however not guarantee that the information in the dossier is correct or that the dossier is compliant with Regulation (EC) No 1907/2006 (the REACH Regulation). This information has not been reviewed or verified by the Agency or any other authority. The content is subject to change without prior notice.
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