10967/91 - QDB Compounds

QsarDB Repository

Jaworska, J.S.; Hunter, R.S.; Gobble, J.R.; Schultz, T.W. Structure-Activity Relationships for Diesters: Aquatic Toxicity to Tetrahymena. In Quantitative Structure-Activity Relationships in Environmental Sciences; Chen, F.; Schüürmann, G., Eds.; SETAC Press; 1997.

35 compounds | Property pIGC50: 2-day Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

IDNamepIGC50Details
1dimethyl glutarate-1.17View
2diethyl succinate-0.85View
3dimethyl suberate0.30View
4diethyl adipate-0.24View
5diethyl pimelate0.41View
6dimethyl sebacate1.01View
7dibutyl adipate-0.79View
8diethyl sebacate1.35View
9dimethyl brassylate1.65View
10dibutyl suberate1.66View
11dimethyl malonate-1.29View
12dimethyl succinate-1.06View
13diethyl-1,3-acetonedicarboxylate-0.31View
14diethyl malonate-1.00View
15diethyl-3-oxopimelate-0.38View
16diethyl methylmalonate-0.51View
17diethyl ethylmalonate-0.24View
18diethyl allylmalonate-0.06View
19diethyl propylmalonate0.13View
20diethyl butylmalonate0.56View
21dimethyl oxalate-0.81View
22diethyl ketomalonate-0.38View
23diethyl oxalate-0.86View
24diethyl oxalpropionate-0.66View
25dibutyl oxalate-0.57View
26dimethyl maleate0.33View
27dimethyl ethylidene malonate0.91View
28diethyl fumarate1.09View
29diethyl ethylidene malonate1.13View
30diethyl isopropylidene malonate-0.07View
31dibutyl fumarate1.49View
32dibutyl maleate1.01View
33dimethyl acetylenedicarboxylate2.48View
34diethyl acetylenedicarboxylate2.44View
35di(tert)butyl acetylenedicarboxylate2.30View

Bibliography

  1. Jaworska, J. S.; Hunter, R. S.; Gobble, J. R.; Schultz, T. W. Structure-Activity Relationships for Diesters: Aquatic Toxicity to Tetrahymena. In Quantitative Structure-Activity Relationships in Environmental Sciences; Chen, F.; Schüürmann, G., Eds.; SETAC Press; 1997.

  2. Schultz, T. W. Tetrahymena in aquatic toxicology: QSARs and ecological hazard assessment. In Proceedings of the International Workshop on a Protozoan Test Protocol with Tetrahymena in Aquatic Toxicity Testing; Pauli, W.; Berger, S., Eds.; German Federal Environmental Agency; 1996.