10967/168 - QDB Compounds

QsarDB Repository

Ren, S.; Schultz, T. W. Identifying the mechanism of aquatic toxicity of selected compounds by hydrophobicity and electrophilicity descriptors. Toxicol. Lett. 2002, 129, 151–160.

88 compounds | Property Mechanism: Mechanism of aquatic toxicity i

IDNameMechanismDetails
1Phenol iNView
2o-Cresol iNView
3p-Cresol iNView
42,4-Dimethylphenol iNView
52,4,6-Trimethylphenol iNView
62,3,6-Trimethylphenol iNView
74-Ethylphenol iNView
84-Propylphenol iNView
92-Methyl-3-butyn-2-ol iRView
102-Allylphenol iNView
114-Tert-butylphenol iNView
124-Tert-pentylphenol iNView
134-Phenylphenol iNView
14Catechol iRView
15Resorcinol iRView
163-Methoxyphenol iNView
174-Methoxyphenol iNView
184-Phenoxyphenol iNView
192-Chlorophenol iNView
204-Chlorophenol iNView
214-Chloro-3-methylphenol iNView
224-Chlorocatechol iRView
232,4-Dichlorophenol iNView
242,4,6-Trichlorophenol iNView
252,3,4,6-Tetrachlorophenol iRView
262,3,4,5-Tetrachlorophenol iRView
27Tetrachlorocatechol iRView
282,4,6-Tribromophenol iNView
292-Nitrophenol iRView
302,6-Dinitrophenol iRView
312,5-Dinitrophenol iRView
322,4-Dinitrophenol iRView
33(Tert)butyldinitrophenol iRView
344,6-Dinitro-o-cresol iRView
35Aniline iNView
364-Toluidine iNView
374-Ethylaniline iNView
384-Butylaniline iNView
393-Benzyloxyaniline iNView
404-Hexyloxyaniline iNView
412-Chloroaniline iNView
422,3,4-Trichloroaniline iNView
432,3,5,6-Tetrachloroaniline iRView
442,3,4,5,6-Pentafluoroaniline iRView
45α,α,α-4-Tetrafluoro-3-toluidine iNView
46α,α,α-4-Tetrafluoro-2-toluidine iNView
474-Ethoxy-2-nitroaniline iRView
48Isopropylbenzene iNView
491,2,4-Trimethylbenzene iNView
50Butylbenzene iNView
51Amylbenzene iNView
52Biphenyl iNView
53Chlorobenzene iNView
541,2-Dichlorobenzene iNView
551,2,4-Trichlorobenzene iNView
563,4-Dichlorotoluene iNView
57Pentachloropyridine iRView
58Bromobenzene iNView
59Nitrobenzene iRView
603-Nitrotoluene iRView
611-Fluoro-4-nitrobenzene iRView
621-Chloro-3-nitrobenzene iRView
631-Chloro-2-nitrobenzene iRView
641,4-Dinitrobenzene iRView
652,4-Dinitrotoluene iRView
661,3-Dichloro-4,6-dinitrobenzene iRView
672-Butyn-1-ol iRView
68Cis-3-hexen-1-ol iRView
691-Hexen-3-ol iRView
704-Pentyn-2-ol iRView
712-Phenyl-3-butyn-2-ol iRView
722-Propyn-1-ol iRView
733-Butyn-2-ol iRView
742-Decyn-1-ol iRView
753-Butyn-1-ol iRView
762-Butyn-1,4-diol iRView
774-Chloroaniline iNView
784-Bromoaniline iNView
794-Fluoroaniline iNView
804-Nitroaniline iRView
81Pentachlorophenol iRView
824-Nonylphenol iRView
83Pentabromophenol iRView
843,4-Dichloroaniline iNView
854-Octylaniline iNView
862,4,6-Tri(tert)butylphenol iNView
872,6-Di(tert)butyl-4-methylphenol iNView
884-Nitrophenol iRView

Bibliography

  1. Bearden, A. P.; Schultz, T. W. Structure-activity relationships for Pimephales and Tetrahymena: A mechanism of action approach . Environmental Toxicology and Chemistry 1997, 16, 1311–1317. http://dx.doi.org/10.1002/etc.5620160629