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EC number: 254-529-9 | CAS number: 39577-43-0
Partition coefficient
Administrative data
Link to relevant study record(s)
- Endpoint:
- partition coefficient
- Type of information:
- calculation (if not (Q)SAR)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- accepted calculation method
- Justification for type of information:
- data is from modelling databases
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- KOWWIN v1.68 was used to estimate the octanol water partition coefficient of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.
- GLP compliance:
- not specified
- Type of method:
- calculation method (fragments)
- Partition coefficient type:
- octanol-water
- Specific details on test material used for the study:
- - Name of test material: 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine
- Molecular formula: C13H18Cl2N2
- Molecular weight: 273.205 g/mol
- Smiles notation: N1(c2cc(Cl)ccc2)CCN(CC1)CCCCl
- InChl: 1S/C13H18Cl2N2/c14-5-2-6-16-7-9-17(10-8-16)13-4-1-3-12(15)11-13/h1,3-4,11H,2,5-10H2
- Substance type: Organic
- Physical state: Solid - Key result
- Type:
- log Pow
- Partition coefficient:
- 3.64
- Remarks on result:
- other: estimated data
- Conclusions:
The estimated octanol water partition coefficient (logPow) of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was 3.64.- Executive summary:
KOWWIN v1.68 was used to estimate the octanol water partition coefficient of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.The estimated octanol water partition coefficient (logPow) of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was 3.64.
Reference
Description of key information
KOWWIN v1.68 was used to estimate the octanol water partition coefficient of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.The estimated octanol water partition coefficient (logPow) of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was 3.64.
Key value for chemical safety assessment
- Log Kow (Log Pow):
- 3.64
Additional information
KOWWIN v1.68 was used to estimate the octanol water partition coefficient of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine.The estimated octanol water partition coefficient (logPow) of 1-(3-chlorophenyl)-4-(3-chloropropyl)piperazine was 3.64.
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