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

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. https://doi.org/10.1016/j.chemosphere.2013.06.088

10967/106 - QDB Compounds

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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

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