Registration Dossier

Ecotoxicological information

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:
2012
Bibliographic source:
QSAR Toolbox version 2.3

Materials and methods

Test guideline
Qualifier:
according to
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
Name:
Unnamed
Type:
Constituent
Details on test material:
SMILES:C(=O)(O)c1cc(C(=O)OC)cc(N(=O)=O)c1

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: