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Partition coefficient

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Link to relevant study record(s)

Reference
Endpoint:
partition coefficient
Type of information:
(Q)SAR
Adequacy of study:
key study
Study period:
no data
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 limited documentation / justification
Justification for type of information:
1. SOFTWARE: No data

2. MODEL (incl. version number): No data

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: Not specified

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL: No data

5. APPLICABILITY DOMAIN: Yes

6. ADEQUACY OF THE RESULT
Yes
Principles of method if other than guideline:
Calculation
GLP compliance:
not specified
Type of method:
calculation method (fragments)
Partition coefficient type:
octanol-water
Key result
Type:
log Pow
Partition coefficient:
-3.17
Remarks on result:
other: Temperature and pH not applicable as (Q)SAR calculation
Conclusions:
Log pow = -3.17 (calculated value)
Executive summary:

log pow = -3.17

Description of key information

Log pow = -3.17 (calculated value)

Key value for chemical safety assessment

Log Kow (Log Pow):
-3.17

Additional information