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Registration Dossier
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EC number: 217-793-6 | CAS number: 1955-46-0
Toxicity to other above-ground organisms
Administrative data
- Endpoint:
- toxicity to other above-ground organisms
- Type of information:
- migrated information: read-across based on grouping of substances (category approach)
- Adequacy of study:
- key study
- Reliability:
- 2 (reliable with restrictions)
Data source
Reference
- Reference Type:
- other: Predicted data
- Title:
- R: QSAR Toolbox 2.3.0.1132 prediction for ED50 read across evaluation for 1955-46-0
- Author:
- Sustainability Support Services (Europe) AB
- Year:
- 2 012
- Bibliographic source:
- QSAR Toolbox version 2.3
Materials and methods
Test guideline
- Qualifier:
- according to guideline
- Guideline:
- other: estimated data
- Principles of method if other than guideline:
- On the basis of priciples of QSAR the prediction has been done as suggested by ECHA
- GLP compliance:
- not specified
Test material
- Reference substance name:
- Methyl 5-nitrohydrogen.isophthalate
- EC Number:
- 217-793-6
- EC Name:
- Methyl 5-nitrohydrogen.isophthalate
- Cas Number:
- 1955-46-0
- Molecular formula:
- C9H7NO6
- IUPAC Name:
- 3-(methoxycarbonyl)-5-nitrobenzoic acid
- Details on test material:
- SMILES:C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1
Constituent 1
Test organisms
- Test organisms (species):
- other: Mus musculus
Results and discussion
Effect concentrations
- Dose descriptor:
- other: ED50
- Effect conc.:
- 35.154
- Basis for effect:
- other: Development;Enzyme(s)
Any other information on results incl. tables
The prediction was based on dataset comprised from the following descriptors: ED50
Estimation method: Taking average value from the 5 nearest neighbours
Domain logical expression:Result: In Domain
("a" and ("b" and "c" ) )
Domain logical expression index: "a"
Similarity boundary:Target: C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1
Threshold=50%,
Dice(Atom pairs)
Domain logical expression index: "b"
Parametric boundary:The target chemical should have a value of log Kow which is >= -0.241
Domain logical expression index: "c"
Parametric boundary:The target chemical should have a value of log Kow which is <= 2.35
Applicant's summary and conclusion
- Validity criteria fulfilled:
- yes
- Conclusions:
- The ED50 value of Mus musculus for methyl 5-nitrohydrogen.isophthalate is found to be 35.15 mg/L
- Executive summary:
-
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