Registration Dossier
Registration Dossier
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EC number: - | CAS number: -
Toxicity to microorganisms
Administrative data
- Endpoint:
- toxicity to microorganisms, other
- Type of information:
- (Q)SAR
- Adequacy of study:
- disregarded due to major methodological deficiencies
- Reliability:
- 3 (not reliable)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model, but not (completely) falling into its applicability domain, and documentation / justification is limited
- Remarks:
- The predicted compound is outside the Applicability Domain of the model.
- Justification for type of information:
- The reliability assessment of the prediction is shown in the attached document as well (QPRF). QSAR model reporting format is shown in the file QMRF attached.
Data source
Reference
- Reference Type:
- other: QSAR model
- Title:
- VEGA in silico platform
- Bibliographic source:
- Sludge (EC50) Toxicity model (ProtoQSAR/Combase) 1.0.1
Materials and methods
Test guideline
- Qualifier:
- equivalent or similar to guideline
- Guideline:
- other: ECHA guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals.
Test material
- Reference substance name:
- (5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
- Cas Number:
- 2875066-35-4
- Molecular formula:
- C14H11F5O3
- IUPAC Name:
- (5R)-3-(3,4-difluoro-2-methoxyphenyl)-4,5-dimethyl-5-(trifluoromethyl)furan-2-one
Constituent 1
- Specific details on test material used for the study:
- CC1=C(C(=O)O[C@@]1(C)C(F)(F)F)C2=C(C(=C(C=C2)F)F)OC
Results and discussion
Effect concentrations
- Dose descriptor:
- EC50
- Effect conc.:
- ca. 9.23 mg/L
- Remarks on result:
- other: Prediction and Applicability Domain analysis for models: Sludge (EC50) Toxicity model (ProtoQSAR-Combase) 1.0.1
Any other information on results incl. tables
The prediction was deemed to be not reliable on the basis of the parameters listed above. The molecule does not fall into the applicability domain of the model.
Applicant's summary and conclusion
- Validity criteria fulfilled:
- no
- Conclusions:
- The EC50 of the substance was predicted to be ca. 9.23 mg/L, but the result may be not reliable.
The predicted compound is outside the Applicability Domain of the model.
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