Registration Dossier

Administrative data

Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Reliability:
2 (reliable with restrictions)
Rationale for reliability incl. deficiencies:
results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
Justification for type of information:
KOWWIN estimates the logarithmic octanol-water partition coefficient of organic compounds. KOWWIN uses a "fragment constant" method.
- the query chemical is an organic compound.
- the number of each fragment found in the query chemical does not exceed the maximum number of this fragment that occurs in any individual compound of the training set.
- the molecular weight (MW) of the query chemical (260.28 g/mol) falls in the MW range of the training set of chemicals: 18.02-719.92.

Data source

Reference
Reference Type:
other:
Title:
Unnamed
Year:
2019

Materials and methods

Test guideline
Qualifier:
no guideline required
Principles of method if other than guideline:
KOWWIN v1.68
Because the test substance is UVCB, other experimental studies are difficult to conduct the experiment and calculate exact value of partition coefficient. The value calculated from QSAR is expected to be more correct.
GLP compliance:
no
Type of method:
other: KOWWIN v1.68
Partition coefficient type:
octanol-water

Test material

Reference
Name:
Unnamed
Type:
Constituent
Type:
Constituent
Test material form:
liquid

Study design

Analytical method:
not specified

Results and discussion

Partition coefficient
Key result
Type:
log Pow
Partition coefficient:
-1.94
Temp.:
25 °C
pH:
ca. 7

Applicant's summary and conclusion