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10967/133 - QDB Compounds

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Abraham, M. H.; Hassanisadi, M.; Jalali-Heravi, M.; Ghafourian, T.; Cain, W. S.; Cometto-Muniz, J. E. Draize Rabbit Eye Test Compatibility with Eye Irritation Thresholds in Humans: A Quantitative Structure-Activity Relationship Analysis. Toxicol. Sci. 2003, 76, 2, 384-391.

91 compounds | Property SP: Eye irritation in rabbits and in humans as log(MMAS/P°) and log(1/EIT), respectively i

ID Name SP Details
1 2-Bromobutane -5.16 View
2 1-Bromo-4-chlorobutane -3.34 View
3 3,4-Dichlorotoluene -2.77 View
4 3,3-Dimethylpentane -5.24 View
5 1-Bromooctane -2.9 View
6 Isostearyl alcohol 2.37 View
7 Methylisobutylketone -3.73 View
8 3-Methylhexane -5.06 View
9 4-Bromophenetole -1.89 View
10 Di-n-propyl disulfide -2.75 View
11 Heptyl methacrylate -2.15 View
12 1-Bromohexane -3.6 View
13 Isopropyl isostearate 2.26 View
14 1-Bromopentane -3.92 View
15 1,9-Decadiene -3.17 View
16 1,6-Dibromohexane -0.91 View
17 1,3-Diisopropylbenzene -2.32 View
18 2-Methylpentane -5.15 View
19 s-Butylbenzene -3.08 View
20 3-Ethyltoluene -3.23 View
21 Methyl trimethylacetate -4.16 View
22 2-Bromopropane -5.02 View
23 1,5-Dimethylcyclooctadiene -2.9 View
24 cis-Cyclooctene -3.48 View
25 Isostearic acid 4.38 View
26 Methylcyclopentane -4.69 View
27 Ethyl trimethylacetate -3.55 View
28 1,4-Dibromobutane -2 View
29 1,5-Dibromopentane -1.41 View
30 1,3-Dibromopropane -2.89 View
31 Isotetradecanol 1.26 View
32 2,4-Difluoronitrobenzene -1.83 View
33 1,5-Hexadiene -4.8 View
34 4-Methylpentan-2-one -3.73 View
35 Allyl methacrylate -3.24 View
36 Styrene -3.11 View
37 Butyl acetate -3.3 View
38 2,2-Dimethylpentan-3-ol -2.7 View
39 Toluene -3.62 View
40 m-Xylene -3.11 View
41 Heptan-2-one -2.68 View
42 2-Methylpentan-1-ol -2.26 View
43 3-Chloropropionitrile -2.65 View
44 Cellosolve acetate -2.2 View
45 Ethyl acetate -3.91 View
46 Heptan-2-one -2.49 View
47 Ethyl 2-methylacetoacetate -1.58 View
48 Cyclopentanol -2.12 View
49 Ethanol -3.51 View
50 Methyl cyanoacetate -0.78 View
51 Propan-2-ol -3.27 View
52 Methyl acetate -3.85 View
53 Octan-1-ol -0.39 View
54 γ-Butyrolactone -0.94 View
55 Furfuryl alcohol -1.34 View
56 2,2-Dimethylbutanoic acid -0.65 View
57 Methoxyethyl acrylate -2.1 View
58 Pyridine -2.75 View
59 Butanone -3.38 View
60 2-Ethylhexan-1-ol -0.57 View
61 iso-Butanol -2.36 View
62 Butan-1-ol -2.13 View
63 Diethylaminopropionitrile -0.83 View
64 Hexan-1-ol -1.13 View
65 Propanone -3.66 View
66 Ethylene glycol monobutyl ether -1.32 View
67 4-Fluoroaniline -1.06 View
68 Cyclohexanol -1 View
69 Propanone -5.27 View
70 Pentan-2-one -4.05 View
71 Heptan-2-one -2.49 View
72 Nonan-2-one -2.35 View
73 Ethyl acetate -4.69 View
74 Butyl acetate -2.87 View
75 Hexyl acetate -2.41 View
76 Octyl acetate -2.02 View
77 Decyl acetate -1.3 View
78 Ethanol -4.76 View
79 Propan-1-ol -3.74 View
80 Butan-1-ol -3.37 View
81 Hexan-1-ol -2.6 View
82 Octan-1-ol -1.71 View
83 Toluene -4.41 View
84 Ethylbenzene -3.87 View
85 Propylbenzene -3.43 View
86 Cumene -3.39 View
87 p-Cymene -3.11 View
88 3-Carene -3.3 View
89 Linalool -2.55 View
90 1,8-Cineole -2.15 View
91 Geraniol -1.35 View

Bibliography

  1. Abraham, M. H.; Hassanisadi, M.; Jalali-Heravi, M.; Ghafourian, T.; Cain, W. S.; Cometto-Muniz, J. E. Draize Rabbit Eye Test Compatibility with Eye Irritation Thresholds in Humans: A Quantitative Structure-Activity Relationship Analysis. Toxicological Sciences 2003, 76, 384-391. http://dx.doi.org/10.1093/toxsci/kfg242