Registration Dossier
Registration Dossier
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EC number: 205-124-0 | CAS number: 133-91-5
Partition coefficient
Administrative data
- Endpoint:
- partition coefficient
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting 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:
- 1. SOFTWARE: EPI-Suite, EPA (USA) v 4.11
2. MODEL (incl. version number): KOWWIN v1.68
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL: OC(=O)c1cc(I)cc(I)c1O
Data source
Reference
- Reference Type:
- other: estimated by calculation
- Title:
- Unnamed
- Year:
- 2 013
Materials and methods
- Principles of method if other than guideline:
- EPI-Suite KOWWIN v1.68 estimate
- GLP compliance:
- no
- Type of method:
- other: estimated by calculation
- Partition coefficient type:
- octanol-water
Test material
- Reference substance name:
- 3,5-diiodosalicylic acid
- EC Number:
- 205-124-0
- EC Name:
- 3,5-diiodosalicylic acid
- Cas Number:
- 133-91-5
- Molecular formula:
- C7H4I2O3
- IUPAC Name:
- 2-hydroxy-3,5-diiodobenzoic acid
- Details on test material:
- - Name of test material (as cited in study report): Benzoic acid, 2-hydroxy-3,5-diiodo-
Constituent 1
Results and discussion
Partition coefficient
- Key result
- Type:
- log Pow
- Partition coefficient:
- 4.58
- Remarks on result:
- other: log Kow (KOWWIN v1.68 estimate). No data is provided on temperature and pH.
Applicant's summary and conclusion
- Conclusions:
- Log Pow EPISUITE = 4.58 (KOWWIN v1.68 estimate)
- Executive summary:
Log Pow EPISUITE = 4.58 (KOWWIN v1.68 estimate)
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