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Physical & Chemical properties

Dissociation constant

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Description of key information

Predicted values of the dissociation constants for the test item using ACD/Labs I-Lab 2.0 on a structure representative of the test item were -1.58 ± 0.40 and -2.22 ± 0.4 for the saturated nitrogen atom in the thiadiazole ring.  Therefore, no dissociation constants were predicted under environmentally relevant conditions (pH 0 to 14).

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Additional information

Predicted values of the dissociation constants for the test item using ACD/Labs I-Lab 2.0 on a structure representative of the test item were -1.58 ± 0.40 and -2.22 ± 0.4 for the saturated nitrogen atom in the thiadiazole ring. Therefore, no dissociation constants were predicted under environmentally relevant conditions (pH 0 to 14).