REPOSITORY ABOUT GUIDELINES CITING BLOG

10967/90 - QDB Compounds

QsarDB Repository

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.

221 compounds | Property pIGC50: 48-h Tetrahymena toxicity as log(1/IGC50) [log(L/mmol)]

ID Name pIGC50 Details
1 methanol -2.77 View
2 ethanol -2.41 View
3 1-propanol -1.84 View
4 1-butanol -1.52 View
5 1-pentanol -1.12 View
6 1-hexanol -0.47 View
7 1-heptanol 0.02 View
8 1-octanol 0.50 View
9 1-nonanol 0.77 View
10 1-decanol 1.10 View
11 1-undecanol 1.87 View
12 1-dodecanol 2.07 View
13 1-tridecanol 2.28 View
14 1-tetradecanol NTAS View
15 2-propanol -1.99 View
16 2-pentanol -1.25 View
17 3-pentanol -1.33 View
18 2-methyl-1-butanol -1.13 View
19 3-methyl-1-butanol -1.13 View
20 3-methyl-2-butanol -1.08 View
21 (tert)pentanol -1.27 View
22 (neo)pentanol -0.96 View
23 1-propylamine -0.85 View
24 1-butylamine -0.70 View
25 1-amylamine -0.61 View
26 1-hexylamine -0.34 View
27 1-heptylamine 0.10 View
28 1-octylamine 0.51 View
29 1-nonylamine 1.59 View
30 1-decylamine 1.95 View
31 1-unidecylamine 2.26 View
32 phenol -0.43 View
33 2-methylphenol -0.27 View
34 2-ethylphenol 0.18 View
35 2-allylphenol 0.35 View
36 2-isopropylphenol 0.80 View
37 2-(tert)butylphenol 1.24 View
38 2-phenylphenol 1.09 View
39 2-fluorophenol 0.28 View
40 2-chlorophenol 0.28 View
41 2-bromophenol 0.50 View
42 2-nitrophenol 0.67 View
43 2-cyanophenol 0.03 View
44 2-hydroxybenzaldehyde 0.48 View
45 2-acetylphenol 0.08 View
46 2-aminophenol 0.94 View
47 catechol 0.75 View
48 2-hydroxycarboxylic acid -0.62 View
49 2-acetoamidophenol NTAS View
50 2-hydroxybenzamide -0.24 View
51 2-hydroxybenzylalcohol -0.95 View
52 2-hydroxybenzaldoxime -0.25 View
53 3-methylphenol -0.06 View
54 3-ethylphenol 0.23 View
55 3-isopropylphenol 0.61 View
56 3-(tert)butylphenol 0.73 View
57 3-phenylphenol 1.35 View
58 3-pentadecylphenol NTAS View
59 3-fluorophenol 0.47 View
60 3-chlorophenol 0.96 View
61 3-iodophenol 1.12 View
62 3-nitrophenol 0.51 View
63 3-cyanophenol -0.07 View
64 3-hydroxybenzaldehyde 0.08 View
65 3-acetylphenol -0.38 View
66 3-aminophenol -0.54 View
67 3-hydroxyphenol -0.65 View
68 3-hydroxycarboxylic acid -0.83 View
69 3-methoxyphenol -0.14 View
70 3-hydroxybenzyl alcohol -1.04 View
71 methyl-3-hydroxybenzoate -0.05 View
72 ethyl-3-hydroxybenzoate 0.48 View
73 4-ethylphenol 0.21 View
74 4-propylphenol 0.64 View
75 4-isopropylphenol 0.47 View
76 4-(sec)butylphenol 0.98 View
77 4-(tert)butylphenol 0.91 View
78 4-(tert)pentylphenol 1.23 View
79 4-cyclopentylphenol 1.29 View
80 4-phenylphenol 1.38 View
81 4-hydroxyphenylmethane 1.20 View
82 4-(tert)octylphenol 2.09 View
83 4-tritylphenol NTAS View
84 α,α,α-trifluoro-4-cresol 0.62 View
85 4-fluorophenol 0.02 View
86 4-chlorophenol 0.55 View
87 4-bromophenol 0.68 View
88 4-iodophenol 0.85 View
89 4-nitrophenol 1.93 View
90 4-nitrosophenol 0.65 View
91 4-cyanophenol 0.52 View
92 4-hydroxybenzaldehyde 0.27 View
93 4-acetylphenol -0.09 View
94 4-hydroxypropiophenone 0.06 View
95 4-hydroxybenzophenone 1.02 View
96 4-hydroxybenzylcyanide -0.38 View
97 4-aminophenol -0.08 View
98 hydroquinone 0.47 View
99 4-hydroxycarboxylic acid -1.32 View
100 4-methoxyphenol -0.14 View
101 4-ethoxyphenol 0.01 View
102 4-butoxyphenol 0.70 View
103 4-hexyloxyphenol 1.65 View
104 4-heptyloxyphenol 2.03 View
105 4-benzyloxyphenol 1.04 View
106 4-acetoamidophenol -0.82 View
107 4-hydroxybenzamide -0.78 View
108 4-hydroxybenzyl alcohol NTAS View
109 4-hydroxyphenethyl alcohol -0.83 View
110 methyl-4-hydroxybenzoate 0.08 View
111 ethyl-4-hydroxybenzoate 0.57 View
112 2,6-difluorophenol 0.40 View
113 2,3-dimethylphenol 0.12 View
114 2,5-dimethylphenol 0.01 View
115 3,4-dimethylphenol 0.12 View
116 3,5-dimethylphenol 0.11 View
117 3-chloro-4-fluorophenol 0.84 View
118 2-chloro-5-methylphenol 0.64 View
119 2-bromo-4-methylphenol 0.79 View
120 2,5-dichlorophenol 1.13 View
121 2,3-dichlorophenol 1.27 View
122 4-chloro-2-methylphenol 0.70 View
123 4-chloro-3-methylphenol 0.80 View
124 3,5-dichlorophenol 1.56 View
125 2,4-bromophenol 1.40 View
126 3,4,5-trimethylphenol 0.93 View
127 2,3,5-trimethylphenol 0.36 View
128 2,4,6-trichlorophenol 1.70 View
129 4-chloro-3,5-dimethylphenol 1.20 View
130 4-bromo-2,6-dichlorophenol 1.78 View
131 2,4,5-trichlorophenol 2.10 View
132 4-bromo-6-chloro-2-methylphenol 1.28 View
133 4-bromo-2,6-dimethylphenol 1.28 View
134 2,4,6-tribromophenol 2.05 View
135 2-(tert)butyl-4-methylphenol 1.30 View
136 4-chloro-2-isopropyl-5-methylphenol 1.86 View
137 6-(tert)butyl-2,4-dimethylphenol 1.25 View
138 2,6-diphenylphenol 2.11 View
139 2,6-di(tert)butyl-4-methylphenol 1.79 View
140 2,4,6-triphenylphenol NTAS View
141 2,4,6-tri(tert)butylphenol NTAS View
142 2-methylaniline -0.55 View
143 2-ethylaniline -0.25 View
144 2-propylaniline 0.06 View
145 2-isopropylaniline 0.10 View
146 2-phenylaniline 0.86 View
147 2-fluoroaniline -0.31 View
148 2-chloroaniline -0.09 View
149 2-bromoaniline 0.46 View
150 2-iodoaniline 0.35 View
151 3-methylaniline -0.43 View
152 3-ethylaniline -0.12 View
153 3-phenylaniline 0.78 View
154 3-fluoroaniline 0.04 View
155 3-chloroaniline 0.09 View
156 3-bromoaniline 0.52 View
157 3-iodoaniline 0.61 View
158 4-methylaniline -0.02 View
159 4-ethylaniline 0.04 View
160 4-propylaniline 0.49 View
161 4-isopropylaniline 0.21 View
162 4-butylaniline 1.05 View
163 4-pentylaniline 1.67 View
164 4-hexylaniline 2.04 View
165 4-octylaniline 2.34 View
166 4-decylaniline NTAS View
167 4-dodecylaniline NTAS View
168 4-phenylaniline 0.95 View
169 4-tritylaniline NTAS View
170 2,4-dimethylaniline -0.30 View
171 2,5-dimethylaniline -0.35 View
172 2,6-dimethylaniline -0.43 View
173 3,4-dimethylaniline -0.29 View
174 3,5-dimethylaniline -0.37 View
175 2,3-dichloroaniline 1.02 View
176 2,4-dichloroaniline 0.56 View
177 2,5-dichloroaniline 0.58 View
178 2,6-dichloroaniline 0.33 View
179 3,4-dichloroaniline 1.14 View
180 3,5-dichloroaniline 0.71 View
181 2-chloro-4-methylaniline 0.24 View
182 2-chloro-5-methylaniline 0.20 View
183 2-chloro-6-methylaniline 0.12 View
184 3-chloro-2-methylaniline 0.45 View
185 3-chloro-4-methylaniline 0.45 View
186 4-chloro-2-methylaniline 0.35 View
187 5-chloro-2-methylaniline 0.51 View
188 2,3,4-trichloroaniline 1.35 View
189 2,4,5-trichloroaniline 1.30 View
190 2,4,6-trichloroaniline 1.01 View
191 3,4,5-trichloroaniline 1.51 View
192 2,6-dichloro-3-methylaniline 0.69 View
193 4-phenylazophenol 1.66 View
194 2,4-dinitrophenol 1.10 View
195 2,5-dinitrophenol 0.93 View
196 2,6-dinitrophenol 0.57 View
197 2,4-dinitro-1-naphthol 1.59 View
198 2,6-dinitro-4-methylphenol 1.23 View
199 4,6-dinitro-2-methylphenol 1.33 View
200 2,6-dibromo-4-nitrophenol 1.36 View
201 2,4-dichloro-6-nitrophenol 1.75 View
202 2,6-diiodo-4-nitrophenol 1.81 View
203 2,3,4,5-tetrachlorophenol 2.00 View
204 2,3,5,6-tetrachlorophenol 2.22 View
205 2,3,5,6-tetrafluorophenol 1.17 View
206 3,4,5,6-tetrabromo-2-methylphenol 2.57 View
207 pentabromophenol 2.66 View
208 pentachlorophenol 2.57 View
209 pentafluorophenol 1.63 View
210 4-phenylazoaniline 1.42 View
211 2,4-dinitroaniline 0.72 View
212 2,6-dinitroaniline 0.94 View
213 3,5-dinitroaniline 0.94 View
214 2,6-dinitro-4-methylaniline NTAS View
215 2,6-dibromo-4-nitroaniline NTAS View
216 2,4-dichloro-6-nitroaniline 1.17 View
217 2,6-dichloro-4-nitroaniline NTAS View
218 4,5-dichloro-2-nitroaniline 1.71 View
219 4,5-difluoro-2-nitroaniline 0.76 View
220 2,3,4,5-tetrachloroaniline 1.96 View
221 2,3,5,6-tetrachloroaniline 1.76 View

Bibliography

  1. 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.