REPOSITORY ABOUT GUIDELINES CITING BLOG

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)]

ID Name pIGC50 Details
1 dimethyl glutarate -1.17 View
2 diethyl succinate -0.85 View
3 dimethyl suberate 0.30 View
4 diethyl adipate -0.24 View
5 diethyl pimelate 0.41 View
6 dimethyl sebacate 1.01 View
7 dibutyl adipate -0.79 View
8 diethyl sebacate 1.35 View
9 dimethyl brassylate 1.65 View
10 dibutyl suberate 1.66 View
11 dimethyl malonate -1.29 View
12 dimethyl succinate -1.06 View
13 diethyl-1,3-acetonedicarboxylate -0.31 View
14 diethyl malonate -1.00 View
15 diethyl-3-oxopimelate -0.38 View
16 diethyl methylmalonate -0.51 View
17 diethyl ethylmalonate -0.24 View
18 diethyl allylmalonate -0.06 View
19 diethyl propylmalonate 0.13 View
20 diethyl butylmalonate 0.56 View
21 dimethyl oxalate -0.81 View
22 diethyl ketomalonate -0.38 View
23 diethyl oxalate -0.86 View
24 diethyl oxalpropionate -0.66 View
25 dibutyl oxalate -0.57 View
26 dimethyl maleate 0.33 View
27 dimethyl ethylidene malonate 0.91 View
28 diethyl fumarate 1.09 View
29 diethyl ethylidene malonate 1.13 View
30 diethyl isopropylidene malonate -0.07 View
31 dibutyl fumarate 1.49 View
32 dibutyl maleate 1.01 View
33 dimethyl acetylenedicarboxylate 2.48 View
34 diethyl acetylenedicarboxylate 2.44 View
35 di(tert)butyl acetylenedicarboxylate 2.30 View

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.