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EC number: 248-451-4
CAS number: 27425-55-4
Estimation method: Takes mode value from the 5 nearest neighboursDomain logical expression:Result: In Domain(("a" or "b" or "c" or "d" ) and ("e" and "f" ) ) Domain logical expression index: "a"Referential boundary: The target chemical should be classified as Esters AND Imidazoles by Aquatic toxicity classification by ECOSARDomain logical expression index: "b"Referential boundary: The target chemical should be classified as Aliphatic Carbon [CH] AND Aliphatic Carbon [-CH2-] AND Aliphatic Carbon [-CH3] AND Aliphatic Nitrogen, one aromatic attach [-N] AND Amino, aliphatic attach [-N<] AND Aromatic Carbon [C] AND Carbonyl, olefinic attach [-C(=O)-] AND Cyclic ester AND Cyclic esters, olefinic type AND Ester, aromatic attach [-C(=O)O] AND Miscellaneous sulfide (=S) or oxide (=O) AND Nitrogen, two or tree olefinic attach [>N-] AND Olefinic carbon [=CH- or =C<] AND Oxygen, one aromatic attach [-O-] AND Oxygen, two olefinic attach [-O-] by Organic functional groups (US EPA)Domain logical expression index: "c"Referential boundary: The target chemical should be classified as Amine AND Aromatic compound AND Carbonic acid derivative AND Heterocyclic compound AND Lactone AND Tertiary amine AND Tertiary mixed amine by Organic functional groups, Norbert Haider (checkmol)Domain logical expression index: "d"Similarity boundary:Target: CCN(CC)c1ccc2C=C(C3Nc4ccccc4N=3)C(=O)Oc2c1Threshold=50%, Dice(Atom centered fragments)Atom type; Count H attached; HybridizationDomain logical expression index: "e"Parametric boundary:The target chemical should have a value of log Kow which is >= 0.291 Domain logical expression index: "f"Parametric boundary:The target chemical should have a value of log Kow which is <= 9.29
Skin irritation was predicted for the
test compound 3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2-benzopyrone
using SSS QSAR Prediction model, 2016. The substance sodium
3-(1H-benzimidazol-2-yl)-7-(diethylamino)-2-benzopyrone (CAS no 27425
-55 -4) is not irritaing to the shaved skin of New Zealand White rabbits.
The test material sodium 2-(2
3-dihydro-1 3-dioxo-1H-inden-2-yl)quinoline-6-sulphonate is not likely
to be classified as a skin irritant.
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