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Cronin, M.T.D.; Schultz, T.W. Structure-toxicity relationships for phenols to Tetrahymena pyriformis. Chemosphere 1996, 32, 8, 1453–1468.

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

ID Name pIGC50 Details
1 3-hydroxybenzaldehyde 0.085 View
2 nonylphenol 2.468 View
3 2,4-dimethylphenol 0.070 View
4 4-bromophenol 0.680 View
5 4-cresol -0.184 View
6 4-chlorophenol 0.545 View
7 3-cresol -0.063 View
8 3-chlorophenol 0.871 View
9 3,5-dimethylphenol 0.113 View
10 phenol -0.208 View
11 2-chloro-4,5-dimethylphenol 0.688 View
12 3,5-di-tert-butylphenol 1.638 View
13 2,4,6-tribromophenol 2.030 View
14 2-hydroxyacetophenone 0.078 View
15 ethyl-4-hydroxybenzoate 0.573 View
16 2,4-dichlorophenol 1.036 View
17 3-ethoxy-4-hydroxybenzaldehyde 0.015 View
18 3-methoxy-4-hydroxybenzaldehyde -0.030 View
19 3-hydroxyacetophenone -0.381 View
20 4-butoxyphenol 0.701 View
21 4-ethylphenol 0.205 View
22 4-hydroxybenzaldehyde 0.266 View
23 2,6-di-tert-butyl-4-methylphenol 1.796 View
24 4-heptyloxyphenol 2.033 View
25 syringaldehyde 0.168 View
26 4-tert-octylphenol 2.097 View
27 4-chloro-3-ethylphenol 1.081 View
28 4-methylcyanophenol -0.384 View
29 3-methoxysalicylaldehyde 0.377 View
30 3-methoxyphenol -0.326 View
31 4-methoxyphenol -0.143 View
32 4-cyclopentylphenol 1.292 View
33 4-chloro-2-methylphenol 0.701 View
34 2-allylphenol 0.334 View
35 6-tert-butyl-2,4-dimethylphenol 1.157 View
36 4-hexyloxyphenol 1.638 View
37 methyl-3-hydroxybenzoate -0.046 View
38 5-bromo-2-hydroxybenzylalcohol 0.343 View
39 4-bromo-2,6-dimethylphenol 1.167 View
40 2-tert-butyl-4-methylphenol 1.301 View
41 2,3,6-trimethylphenol 0.277 View
42 3-chloro-4-fluorophenol 1.131 View
43 2,6-difluorophenol 0.471 View
44 5-bromovanillin 0.617 View
45 2-hydroxy-4,5-dimethylacetophenone 0.707 View
46 2-fluorophenol 0.185 View
47 2,4-difluorophenol 0.604 View
48 4-fluorophenol 0.017 View
49 3-fluorophenol 0.381 View
50 2,6-dichloro-4-fluorophenol 0.804 View
51 α,α,α-trifluoro-4-cresol 0.618 View
52 2,3,4,5-tetrachlorophenol 2.712 View
53 3,5-dimethoxyphenol -0.092 View
54 4-hydroxyphenethylalcohol -0.826 View
55 2,3-dimethylphenol 0.122 View
56 3,4,5-trimethylphenol 0.932 View
57 2,4,6-trimethylphenol 0.281 View
58 4-iodophenol 0.854 View
59 2,3-dichlorophenol 1.276 View
60 3,4,5,6-tetrabromo-2-methylphenol 2.574 View
61 2,5-dichlorophenol 1.125 View
62 3-tert-butylphenol 0.730 View
63 4-chloro-3-methylphenol 0.796 View
64 3-bromophenol 1.145 View
65 3,5-dichlorophenol 1.569 View
66 pentabromophenol 2.664 View
67 2-cyanophenol 0.034 View
68 2,4-dibromophenol 1.398 View
69 2-chloro-5-methylphenol 0.393 View
70 3-isopropylphenol 0.612 View
71 4-hydroxybenzamide -0.780 View
72 3-ethylphenol 0.228 View
73 3-hydroxybenzylalcohol -1.043 View
74 3-hydroxy-4-methoxybenzaldehyde -0.141 View
75 4-ethoxyphenol 0.013 View
76 3-iodophenol 1.119 View
77 4-propylphenol 0.643 View
78 2-hydroxybenzamide -0.242 View
79 3-chloro-5-methoxyphenol 0.757 View
80 3-ethoxy-4-methoxyphenol -0.299 View
81 2-bromo-4-methylphenol 0.599 View
82 2,3,5-trimethylphenol 0.360 View
83 4-bromo-2,6-dichlorophenol 1.778 View
84 4-hydroxypropiophenone 0.053 View
85 4-bromo-3,5-dimethylphenol 1.268 View
86 4-bromo-6-chloro-2-methylphenol 1.276 View
87 4-cyanophenol 0.516 View
88 2,3,5,6-tetrafluorophenol 1.167 View
89 pentafluorophenol 1.638 View
90 ethyl-3-hydroxybenzoate 0.478 View
91 4-tert-pentylphenol 1.229 View
92 2,6-dichlorophenol 0.735 View
93 pentachlorophenol 2.049 View
94 3-cyanophenol -0.064 View
95 4-chloro-3,5-dimethylphenol 1.201 View
96 2,4,6-trichlorophenol 1.410 View
97 2-tert-butylphenol 1.295 View
98 2-isopropylphenol 0.798 View
99 4-chloro-2-isopropyl-5-methylphenol 1.854 View
100 2-ethylphenol 0.160 View
101 2-hydroxybenzylalcohol -0.954 View
102 2-hydroxybenzaldehyde 0.424 View
103 2-methoxyphenol -0.510 View
104 3,5-dibromosalicylaldehyde 1.638 View
105 2,6-dimethoxyphenol -0.598 View
106 2,3,5-trichlorophenol 2.373 View
107 2,3,5,6-tetrachlorophenol 2.222 View
108 2-ethoxyphenol -0.358 View
109 2-methylphenol -0.295 View
110 2-bromophenol 0.330 View
111 2-chlorophenol 0.183 View
112 3,4-dimethylphenol 0.122 View
113 3,4-dichlorophenol 1.745 View
114 2,5-dimethylphenol 0.081 View
115 2,4,5-trichlorophenol 2.097 View
116 4-tert-butylphenol 0.914 View
117 4-sec-butylphenol 0.979 View
118 methyl-4-hydroxybenzoate 0.084 View
119 4-isopropylphenol 0.473 View
120 4-hydroxyacetophenone -0.302 View
121 4-amino-2-nitrophenol 0.879 View
122 2-amino-4-tert-butylphenol 0.366 View
123 2,4-diaminophenol 2HCl 0.127 View
124 5-amino-2-methoxyphenol 0.450 View
125 4-amino-2-cresol 1.307 View
126 6-amino-2,4-dimethylphenol 0.886 View
127 3-aminophenol -0.524 View
128 2-amino-4-chloro-5-nitrophenol 1.174 View
129 2-hydroxybenzoic acid -0.512 View
130 2-aminophenol 0.939 View
131 2-amino-4-chlorophenol 0.775 View
132 3-amino-4-hydroxybenzenesulphonic acid -1.053 View
133 3-hydroxybenzoic acid -0.814 View
134 2-amino-4-nitrophenol 0.475 View
135 4-hydroxybenzoic acid -1.021 View
136 4-nitrophenol 1.420 View
137 4-acetamidophenol -0.820 View
138 4-nitrosophenol 0.654 View
139 4-methyl-2-nitrophenol 0.571 View
140 4-aminophenol -0.076 View
141 4-methyl-3-nitrophenol 0.740 View
142 3-methyl-4-nitrophenol 1.729 View
143 2-chloromethyl-4-nitrophenol 0.750 View
144 2,6-diiodo-4-nitrophenol 1.712 View
145 2,5-dinitrophenol 0.950 View
146 5-hydroxy-2-nitrobenzaldehyde 0.330 View
147 5-fluoro-2-nitrophenol 1.125 View
148 2,4-dinitrophenol 1.077 View
149 4,6-dinitro-2-methylphenol 1.721 View
150 3-nitrophenol 0.506 View
151 2,6-dinitrophenol 0.539 View
152 3,4-dinitrophenol 0.266 View
153 2,4-chloro-6-nitrophenol 1.745 View
154 2,6-dinitro-4-methylphenol 1.229 View
155 2,6-dichloro-4-nitrophenol 0.632 View
156 2-chloro-4-nitrophenol 1.585 View
157 3-acetamidophenol -0.155 View
158 2,3-dinitrophenol 0.463 View
159 4-chloro-6-nitro-3-methylphenol 1.638 View
160 2-nitrophenol 0.670 View
161 2,4,6-trinitrophenol -0.155 View
162 4-chloro-2-nitrophenol 2.053 View
163 salicylhydroxamic acid 0.379 View
164 salicylhydrazide 0.181 View
165 salicylaldoxime 0.253 View
166 2,6-bromo-4-nitrophenol 1.356 View

Bibliography

  1. Cronin, M. T. D.; Schultz, T. W. Structure-toxicity relationships for phenols to Tetrahymena pyriformis. Chemosphere 1996, 32, 1453–1468. http://dx.doi.org/10.1016/0045-6535(96)00054-9

  2. Schultz, T. W.; Lin, D. T.; Wilke, T. S.; Arnold, L. M. Quantitative structure-activity relationships for the Tetrahymena pyriformis population growth endpoint: a mechanism of action approach. In Practical Applications of Quantitative Structure-Activity Relationships (QSAR) in Environmental Chemistry and Toxicology; Karcher, W.; Devillers, J., Eds.; Joint Research Centre; 1990.