REPOSITORY ABOUT GUIDELINES CITING BLOG

10967/106 - QDB Compounds

QsarDB Repository

Aruoja, V.; Moosus, M.; Kahru, A.; Sihtmäe, M.; Maran, U. Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata. Chemosphere 2014, 96, 23-32

108 compounds | Property pEC50: 72-h Algal toxicity as log(1/EC50) [log(L/mmol)]

ID Name pEC50 Details
1 1,1,2-trichloroethane 0.11 View
2 1,1-dichloroethane -0.03 View
3 1,2,3-trichloropropane 0.27 View
4 1,2-dichlorobenzene 1.01 View
5 1,2-dichloroethane -0.5 View
6 1,2-dichloropropane -0.03 View
7 1,3-dichlorobenzene 1.58 View
8 1,3-dichloropropane 0.04 View
9 1,4-dichlorobenzene 0.95 View
10 1-Butanol -1.32 View
11 1-chlorobutane 0.41 View
12 1-decanol 1.87 View
13 1-octanol 0.67 View
14 1-pentanol -0.62 View
15 2-(2-butoxyethoxy)-ethanol -0.83 View
16 2-(2-ethoxyethoxy)-ethanol -2.04 View
17 2,3,4-trichloroaniline 1.74 View
18 2,3,4-trichlorophenol 1.68 View
19 2,3,5-trichlorophenol 1.94 View
20 2,3,5-trimethylphenol 1 View
21 2,3-dichloroaniline 1.38 View
22 2,3-dimethylaniline 0.59 View
23 2,4,5-trichloroaniline 1.8 View
24 2,4,5-trichlorophenol 1.42 View
25 2,4,6-trichloroaniline 1.6 View
26 2,4,6-trichlorophenol 1.54 View
27 2,4,6-trimethylphenol 1.15 View
28 2,4-dichloroaniline 1.61 View
29 2,4-dichlorophenol 1.3 View
30 2,4-dichlorotoluene 1.8 View
31 2,4-dimethylaniline 0.49 View
32 2,4-dimethylphenol 0.8 View
33 2,5-dichloroaniline 0.99 View
34 2,5-dichlorophenol 1.65 View
35 2,5-dimethylaniline 0.23 View
36 2,5-dimethylphenol 0.58 View
37 2,6-dichloroaniline 0.84 View
38 2,6-dichlorophenol 1.01 View
39 2,6-diethylaniline 0.56 View
40 2,6-dimethylphenol 0.47 View
41 2-butoxyethanol -1.19 View
42 2-chloroaniline 0.51 View
43 2-chlorophenol 0.39 View
44 2-ethylaniline 0.39 View
45 2-ethylphenol 0.59 View
46 2-isopropoxyethanol -1.79 View
47 2-methoxyethanol -2.5 View
48 2-methylaniline -0.01 View
49 2-methylphenol -0.07 View
50 3,4,5-trichloroaniline 2.14 View
51 3,4-dichloroaniline 1.81 View
52 3,4-dichlorophenol 1.87 View
53 3,4-dimethylaniline 1.22 View
54 3,4-dimethylphenol 0.58 View
55 3,5-dimethylaniline 0.64 View
56 3-chloroaniline 0.68 View
57 3-chlorotoluene 1.55 View
58 3-ethylaniline 0.93 View
59 3-ethylphenol 0.48 View
60 3-methylaniline 0.6 View
61 3-methylphenol -0.13 View
62 4-chloroaniline 1.56 View
63 4-chlorotoluene 1.57 View
64 4-ethylaniline 1.14 View
65 4-ethylphenol 0.75 View
66 4-methylaniline 0.4 View
67 Acetone -2.04 View
68 Aniline 0.23 View
69 Benzene -0.2 View
70 Benzophenone 2.05 View
71 Cyclohexane 0.63 View
72 Cyclohexanol -0.61 View
73 Cyclohexanone -1.08 View
74 Dichloromethane -0.96 View
75 Diethylether -1.49 View
76 Ethylacetate -1.65 View
77 Ethyleneglycol -2.77 View
78 iso-Butanol -1.36 View
79 m-xylene 1.08 View
80 o-xylene 0.62 View
81 Pentachloroethane 1.38 View
82 p-xylene 0.62 View
83 Tetrachloroethene 0.96 View
84 Tetrachloromethane 1.16 View
85 Toluene 0.56 View
86 Trichloroethene 0.36 View
87 Trichloromethane -0.29 View
88 1,1,2,2-tetrachloroethane 0.49 View
89 1,2,4-trichlorobenzene 1.63 View
90 2,3,6-trichlorophenol 1.39 View
91 2,3,6-trimethylphenol 0.98 View
92 2,3-dichlorophenol 1.17 View
93 2,3-dimethylphenol 0.4 View
94 2,4,6-trimethylaniline 0.82 View
95 2,6-dimethylaniline 0.05 View
96 2-ethoxyethanol -2 View
97 2-methyl-2-propanol -1.34 View
98 3,4-dichlorotoluene 1.8 View
99 3,5-dichloroaniline 1.57 View
100 3,5-dichlorophenol 1.89 View
101 3,5-dimethylphenol 0.65 View
102 3-chlorophenol 1.05 View
103 3-pentanol -0.87 View
104 4-chlorophenol 0.61 View
105 4-methylphenol 0.27 View
106 Hexanol -0.05 View
107 Monochlorobenzene 0.58 View
108 Phenol -0.32 View

Bibliography

  1. Aruoja, V.; Moosus, M.; Kahru, A.; Sihtmäe, M.; Maran, U. Measurement of baseline toxicity and QSAR analysis of 50 non-polar and 58 polar narcotic chemicals for the alga Pseudokirchneriella subcapitata. Chemosphere 2014, 96, 23–32. http://dx.doi.org/10.1016/j.chemosphere.2013.06.088