Registration Dossier
Registration Dossier
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EC number: 241-669-0 | CAS number: 17686-39-4
Endpoint summary
Administrative data
Description of key information
Potentially bioaccumulative
Additional information
Estimated value by EPISuite 4.1™ (BCFBAF v.3.01):
log BCF from regression-based method = 0.650 (BCF = 4.464 L/kg wet-wt)
Log Biotransformation Half-life (HL) = -1.6834 days (HL = 0.02073 days)
Log BCF Arnot-Gobas method (upper trophic) = 0.337 (BCF = 2.174)
Log BAF Arnot-Gobas method (upper trophic) = 0.337 (BAF = 2.174)
log Kow used: 1.49 (estimated)
Predicted value by VEGA Qsar Model: BCF model (CAESAR) 2.1.14:
Prediction is 0.32 log(L/kg), but the result shows some critical aspects, which require to be checked:
- only moderately similar compounds with known experimental value in the training set have been found;
- some similar molecules found in the training set have experimental values that disagree with the predicted value.
The following relevant fragments have been found: Carbonyl residue (SR 02); >C=O group (PG 09)
Reliability: the predicted compound could be out of the Applicability Domain of the model.
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