10967/133 - QDB Compounds

QsarDB Repository

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

IDNameSPDetails
12-Bromobutane-5.16View
21-Bromo-4-chlorobutane-3.34View
33,4-Dichlorotoluene-2.77View
43,3-Dimethylpentane-5.24View
51-Bromooctane-2.9View
6Isostearyl alcohol2.37View
7Methylisobutylketone-3.73View
83-Methylhexane-5.06View
94-Bromophenetole-1.89View
10Di-n-propyl disulfide-2.75View
11Heptyl methacrylate-2.15View
121-Bromohexane-3.6View
13Isopropyl isostearate2.26View
141-Bromopentane-3.92View
151,9-Decadiene-3.17View
161,6-Dibromohexane-0.91View
171,3-Diisopropylbenzene-2.32View
182-Methylpentane-5.15View
19s-Butylbenzene-3.08View
203-Ethyltoluene-3.23View
21Methyl trimethylacetate-4.16View
222-Bromopropane-5.02View
231,5-Dimethylcyclooctadiene-2.9View
24cis-Cyclooctene-3.48View
25Isostearic acid4.38View
26Methylcyclopentane-4.69View
27Ethyl trimethylacetate-3.55View
281,4-Dibromobutane-2View
291,5-Dibromopentane-1.41View
301,3-Dibromopropane-2.89View
31Isotetradecanol1.26View
322,4-Difluoronitrobenzene-1.83View
331,5-Hexadiene-4.8View
344-Methylpentan-2-one-3.73View
35Allyl methacrylate-3.24View
36Styrene-3.11View
37Butyl acetate-3.3View
382,2-Dimethylpentan-3-ol-2.7View
39Toluene-3.62View
40m-Xylene-3.11View
41Heptan-2-one-2.68View
422-Methylpentan-1-ol-2.26View
433-Chloropropionitrile-2.65View
44Cellosolve acetate-2.2View
45Ethyl acetate-3.91View
46Heptan-2-one-2.49View
47Ethyl 2-methylacetoacetate-1.58View
48Cyclopentanol-2.12View
49Ethanol-3.51View
50Methyl cyanoacetate-0.78View
51Propan-2-ol-3.27View
52Methyl acetate-3.85View
53Octan-1-ol-0.39View
54γ-Butyrolactone-0.94View
55Furfuryl alcohol-1.34View
562,2-Dimethylbutanoic acid-0.65View
57Methoxyethyl acrylate-2.1View
58Pyridine-2.75View
59Butanone-3.38View
602-Ethylhexan-1-ol-0.57View
61iso-Butanol-2.36View
62Butan-1-ol-2.13View
63Diethylaminopropionitrile-0.83View
64Hexan-1-ol-1.13View
65Propanone-3.66View
66Ethylene glycol monobutyl ether-1.32View
674-Fluoroaniline-1.06View
68Cyclohexanol-1View
69Propanone-5.27View
70Pentan-2-one-4.05View
71Heptan-2-one-2.49View
72Nonan-2-one-2.35View
73Ethyl acetate-4.69View
74Butyl acetate-2.87View
75Hexyl acetate-2.41View
76Octyl acetate-2.02View
77Decyl acetate-1.3View
78Ethanol-4.76View
79Propan-1-ol-3.74View
80Butan-1-ol-3.37View
81Hexan-1-ol-2.6View
82Octan-1-ol-1.71View
83Toluene-4.41View
84Ethylbenzene-3.87View
85Propylbenzene-3.43View
86Cumene-3.39View
87p-Cymene-3.11View
883-Carene-3.3View
89Linalool-2.55View
901,8-Cineole-2.15View
91Geraniol-1.35View

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