10967/218 - QDB Compounds

QsarDB Repository

Claeys, L.; Iaccino, F.; Janssen, C. R.; Van Sprang, P.; Verdonck, F. Development and validation of a quantitative structure-activity relationship for chronic narcosis to fish. Environ. Toxicol. Chem. 2013, 32, 2217–2225.

220 compounds | Property NOEC: Chronic fish toxicity as logNOEC [log(mmol/L)]

IDNameNOECDetails
np1o-dichlorobenzene-2.26View
np21,4-dibromobenzene-2.99View
np31,2-dichloroethane-0.533View
np41,2-dichloroethane-0.383View
np54-methyl-2-pentanone-0.245View
np64-methyl-2-pentanone-0.112View
np74-methyl-2-pentanone0.39View
np8chlorobenzene-2.65View
np9chlorobenzene-1.12View
np10chloroform0.009View
np111,1,1-trichloroethane-1.24View
np121,2-dichloropropane-1.05View
np131,1,2-trichloroethane-1.35View
np141,1,2-trichloroethane-0.955View
np151,1,2-trichloroethane-0.866View
np161,1,2-trichloroethane-0.662View
np172,4-dichlorophenoxyacetic acid-3.74View
np182,4-dichlorophenoxyacetic acid-0.91View
np192,4-dichlorophenoxyacetic acid-0.867View
np20benzene-0.884View
np21methyl ethyl ketone0.142View
np22trichloroethylene-1.69View
np23trichloroethylene-1.36View
np24trichloroethylene-1.09View
np25trichloroethylene-0.516View
np26p-xylene-2.41View
np27toluene-2.11View
np28toluene-1.23View
np291,2,4-trichlorobenzene-2.94View
np301,2,4-trichlorobenzene-2.84View
np311,2,4-trichlorobenzene-2.56View
np321,2-dibromoethane-1.51View
np331,2-dibromoethane-1.29View
np34hexachloroethane-3.54View
np35hexachloroethane-2.59View
np36tetrachloromethane-0.618View
np37tetrachloromethane-0.342View
np38tetrachloroethene-2.52View
np39tetrachloroethene-2.22View
np40tetrachloroethene-2.07View
np41tetrachloroethene-1.94View
np42tetrachloroethene-1.92View
np43tetrachloroethene-1.85View
np44tetrachloroethene-0.989View
np45tetrahydrofuran0.477View
np461,1,2,2-tetrachloroethane-2.08View
np471,1,2,2-tetrachloroethane-1.53View
np481,1,2,2-tetrachloroethane-1.44View
np491,1,2,2-tetrachloroethane-1.39View
np50pentachloroethane-2.35View
np51pentachloroethane-1.84View
np52butanol-0.207View
np53propylene glycol0.11View
np54propylene glycol0.119View
np55propylene glycol0.55View
np56propylene glycol2.18View
np571,3-dichlorobenzene-2.32View
np581,3-dichlorobenzene-2.17View
np591,3-dichlorobenzene-1.81View
np601,4-dichlorobenzene i-2.81View
np611,4-dichlorobenzene i-2.42View
np621,4-dichlorobenzene i-2.41View
np631,4-dichlorobenzene i-2.39View
np641,4-dichlorobenzene i-2.21View
np651,4-dichlorobenzene i-1.85View
np66acenaphthene-2.67View
np67acenaphthene-2.64View
np68acenaphthene-2.48View
np691,2,4,5-tetrachlorobenzene-3.5View
np701,2,4,5-tetrachlorobenzene-3.32View
np71phenanthrene-4.55View
np72phenanthrene-4.1View
np73phenanthrene-3.97View
np74phenanthrene-3.67View
np75phenanthrene-3.61View
np76phenanthrene-3.43View
np77phenanthrene-2.97View
np781,2,3-trichlorobenzene-3.76View
np791,2,3-trichlorobenzene-3.47View
np801,2,3-trichlorobenzene-2.75View
np811,2,3-trichlorobenzene-2.61View
np821,2-dimethylbenzene-1.72View
np833,4-dichlorotoluene-3.31View
np841-chloro-4-methylbenzene-1.57View
np851-chloro-4-methylbenzene-1.32View
np86octan-1-ol-2.24View
np87octan-1-ol-2.04View
np88octan-1-ol-1.94View
np89octan-1-ol-1.64View
np90octan-1-ol-1.34View
np911,4-dimethoxybenzene-0.92View
np922,3,4,5-tetrachloroaniline i-2.95View
np932,3,4,5-tetrachloroaniline i-2.94View
np942,3,4,5-tetrachloroaniline i-2.84View
np952,3,4,5-tetrachloroaniline i-2.72View
np962,3,7,8-tetrachlorodibenzo[b,e][1,4]dioxin-9.93View
np97aroclor 1248-5.77View
np98aroclor 1248-5.12View
np992-(phenylmethoxy)naphthalene-2.784View
np1001,2-dibromoethane-1.51View
np101biphenyl-2.828View
np1021,2-dichloropropane-1.275View
np1032-phenoxyethanol-0.43View
np1042-phenoxyethanol-0.779View
np1052-phenoxyethanol-0.76View
np1062-phenoxyethanol-0.117View
np1072-phenoxyethanol-0.43View
np1083a,4,7,7a-tetrahydro-1H-4,7-methanoindene-2.13View
np1094,6,6,7,8,8-hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene-3.58View
np1104,6,6,7,8,8-hexamethyl-1,3,4,6,7,8-hexahydrocyclopenta[g]isochromene-3.152View
np111chlorobenzene-1.37View
np112dichloromethane0.223View
np113dichloromethane-0.01View
np114dichloromethane0.223View
np115tert-butyl methyl ether0.53View
np116tert-butyl methyl ether0.708View
np1175-chloro-2-(2,4-dichlorophenoxy)phenol-3.929View
np1181,4-dioxane0.055View
np119methyl bromide-2.47View
np120methyl bromide-2.47View
np1211,1'-biphenyl-2.66View
np1229h-fluorene-3.12View
np1239h-fluorene-2.82View
np124pyrene-4.61View
np125pyrene-3.41View
np1265-chloro-2-(2,4-dichlorophenoxy)phenol-4.28View
np1275-chloro-2-(2,4-dichlorophenoxy)phenol-3.97View
np1285-chloro-2-(2,4-dichlorophenoxy)phenol-3.93View
np1295-chloro-2-(2,4-dichlorophenoxy)phenol-3.61View
np1305-chloro-2-(2,4-dichlorophenoxy)phenol-3.27View
np1315-chloro-2-(2,4-dichlorophenoxy)phenol-3.25View
np1325-chloro-2-(2,4-dichlorophenoxy)phenol-3.21View
np1331-methyl-4-(1-methylethyl)benzene-2.29View
np134benzyl ether-2.62View
np135octane-3.61View
np1361,2-dimethylnaphthalene-3.15View
np137hexanedioic acid-0.466View
np1383,4,5,6-tetrachloroguaiacol-2.82View
np1392,6-dimethylnaphthalene-2.56View
np1401-methoxy-2-propanol, acetate-0.439333View
np1412-butoxyethanol-0.673942View
np142dibromo(chloro)methane-1.81291View
np143(1s)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane-3.37011View
np144(1s)-6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane-2.37011View
np145azulene-2.10721View
np1461,2-dimethylnaphthalene-3.15173View
np147tribromomethane-1.72188View
np148bromodichloromethane-2.32275View
np1491-chloronaphthalene-2.62112View
p1phenol-2.9View
p2phenol-2.1View
p3phenol-1.72View
p4phenol-1.55View
p5phenol-1.27View
p6phenol-1.12View
p7phenol-0.974View
p8phenol-0.891View
p9phenol-0.673View
p10phenol-0.668View
p11phenol-0.372View
p124,4'-(1-methylethylidene)bisphenol-3.26View
p134,4'-(1-methylethylidene)bisphenol-2.9View
p144,4'-(1-methylethylidene)bisphenol-2.36View
p152,4,5-trichlorophenol-3.5View
p162,4,5-trichlorophenol-3.26View
p172,4,5-trichlorophenol-3.09View
p182,4,5-trichlorophenol-2.98View
p192,4,5-trichlorophenol-2.82View
p202,4,5-trichlorophenol-2.74View
p212,4,5-trichlorophenol-2.65View
p222,4,5-trichlorophenol-2.57View
p234-methylphenol-1.57View
p242,4-dimethylphenol-2.49View
p252,4-dimethylphenol-1.91View
p262,4-dimethylphenol-1.8View
p272,4-dimethylphenol-1.79View
p282,4-dimethylphenol-1.68View
p292,4-dimethylphenol-1.58View
p302,4-dichlorophenol-2.75View
p312,4-dichlorophenol-2.21View
p324-nonylphenol-4.08View
p334-nonylphenol-3.87View
p344-nonylphenol-3.34View
p354-nonylphenol-3.17View
p36nonylphenol-4.56View
p37nonylphenol-4.33View
p38nonylphenol-3.98View
p39nonylphenol-3.29View
p40Phenol, 4-nonyl-, branched-4.56View
p414-(1,1,3,3-tetramethylbutyl)phenol-4.24View
p422,2-bis(4-hydroxyphenyl)propane-2.96View
p432,2-bis(4-hydroxyphenyl)propane-2.55View
p442,2-bis(4-hydroxyphenyl)propane-1.8View
p452,2-bis(4-hydroxyphenyl)propane-4.15View
p462,2-bis(4-hydroxyphenyl)propane-2.55View
p474-(1,1,3,3-tetramethylbutyl)phenol-4.64View
p484-(1,1,3,3-tetramethylbutyl)phenol-4.08View
p494-(1,1,3,3-tetramethylbutyl)phenol-3.56View
p504-(1,1,3,3-tetramethylbutyl)phenol-3.31View
p514-bromophenol-1.76View
p524-nitrophenol-2.079View
p534-nitrophenol-2.064View
p544-nitrophenol-1.905View
p554-nitrophenol-1.864View
p564-nitrophenol-1.801View
p574-nitrophenol-1.691View
p584-nitrophenol-1.69View
p594-nitrophenol-1.614View
p604-nitrophenol-1.612View
p614-nitrophenol-1.563View
p624-nitrophenol-1.444View
p634-nitrophenol-1.418View
p644-nitrophenol-1.31View
p654-nitrophenol-1.286View
p664-nitrophenol-1.284View
p674-nitrophenol-1.268View
p684-nitrophenol-1.224View
p694-nitrophenol-1.201View
p704-nitrophenol-1.143View
p714-nitrophenol-0.967View

Bibliography

  1. Claeys, L.; Iaccino, F.; Janssen, C. R.; Van Sprang, P.; Verdonck, F. Development and validation of a quantitative structure-activity relationship for chronic narcosis to fish. Environmental Toxicology and Chemistry 2013, 32, 2217–2225. http://dx.doi.org/10.1002/etc.2301