10967/71 - QDB Compounds

QsarDB Repository

Schultz, T.W.; Bearden, A.P.; Jaworska, J.S. A novel QSAR approach for estimating toxicity of phenols. SAR QSAR Environ. Res. 1996, 5, 2, 99–112.

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

IDNamepIGC50Details
12,6-di(tert)butyl-4-CH31.791View
22-(tert)butyl1.248View
34-O(CH2)5CH31.648View
44-O(CH2)6CH32.032View
52,3,6-CH30.277View
64-0C6H51.356View
74-O(CH2)3CH30.702View
84-OCH2CH30.013View
92-CH(CH3)CH30.798View
103,4-CH30.122View
114-(tert)butyl0.913View
124-OCH3-0.143View
133-CH2CH30.229View
143-CH3-0.077View
15H-0.321View
164-cyclopentyl1.292View
174-F0.017View
184-Cl-3,5-CH31.203View
194-Cl-2-CH30.701View
204-Cl0.545View
214-Br0.681View
223-F0.381View
233-Cl0.871View
243-Cl-4-F1.042View
253-I1.118View
262-F0.185View
273,4-Cl1.738View
283-NO20.506View
294-N=NC6H51.656View
302,4-Br-6-C6H52.208View
312,5-Cl1.128View
322,6-F0.471View
332,3-Cl1.272View
342,4,5-Cl2.097View
352-NO20.670View
364-NO0.654View
373,4,5,6-Br-2-CH32.569View
385-F-2-NO21.123View
394-Cl-6-N02-3-CH31.635View
402,4,6-Br2.032View
412,3,4,5-Cl2.721View
422,3,5,6-F1.168View
43penta-F1.631View
442,6-I-4-NO21.813View
452,3,5,6-Cl2.215View
462,5-NO20.950View
47penta-Cl2.060View
482,6-Br-4-NO21.357View
492,4-Cl-6-NO21.752View
50penta-Br2.658View
512,6-NO2-4-(tert)butyl1.802View
522,6-NO2-4-CH31.230View
532,6-NO20.540View
542,4,6-NO2-0.155View
553-CH3-4-NO21.635View
564-NO21.926View
572-Cl-4-NO21.590View
583,4-NO20.266View
594,6-NO2-2-CH31.728View
602,4-NO21.096View

Bibliography

  1. Schultz, T. W.; Bearden, A. P.; Jaworska, J. S. A novel QSAR approach for estimating toxicity of phenols. SAR QSAR Environ. Res. 1996, 5, 99–112. http://dx.doi.org/10.1080/10629369608031710

  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.