Registration Dossier

Administrative data

Endpoint:
short-term toxicity to fish
Type of information:
(Q)SAR
Adequacy of study:
supporting study
Reliability:
3 (not reliable)
Rationale for reliability incl. deficiencies:
results derived from a (Q)SAR model, with limited documentation / justification
Justification for type of information:
1. SOFTWARE
ECOSAR

2. MODEL (incl. version number)
ECOSAR v1.00a U.S. Environmental Protection Agency. [Internet download], 1.3.2011. Available from: http://www.epa.gov/oppt/newchems/tools/21ecosar.htm

3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
S=C1NC2=CC(OC(F)F)=CC=C2N1

4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
- Defined endpoint:
- Unambiguous algorithm:
- Defined domain of applicability:
- Appropriate measures of goodness-of-fit and robustness and predictivity:
- Mechanistic interpretation:

5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain:
- Structural and mechanistic domains:
- Similarity with analogues in the training set:
- Other considerations (as appropriate):

6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]

Data source

Reference
Reference Type:
study report
Title:
Unnamed
Year:
2016
Report Date:
2016

Materials and methods

Test guideline
Guideline:
other: REACH Guidance on QSARs R.6

Test material

Reference
Name:
Unnamed
Type:
Constituent
Test material form:
solid: particulate/powder
Specific details on test material used for the study:
SMILES: S=C1NC2=CC(OC(F)F)=CC=C2N1

Results and discussion

Effect concentrations
Dose descriptor:
LC50
Effect conc.:
81.65 mg/L
Remarks on result:
other: QSAR predicted value

Any other information on results incl. tables

ECOSAR v1.00a U.S. Environmental Protection Agency. [Internet download], 1.3.2011.

predicted LC50 (fish), 96h : 81.65 mg/L

Applicant's summary and conclusion