10967/219 - QDB Compounds

QsarDB Repository

Pavan, M.; Worth, A.; Netzeva, T. Preliminary analysis of an aquatic toxicity dataset and assessment of QSAR models for narcosis. EUR 21749 EN. European Commission, Joint Research Centre, 2005.

163 compounds | Property logLC50: 96-h Fathead minnow toxicity as logLC50 [log(mol/L)]

IDNamelogLC50RefDetails
N11-butanol -1.63[1]View
N21-decanol -4.81[1]View
N31-dodecanol -5.26[1]View
N41-hexanol -3.02[1]View
N51-nonanol -4.4[1]View
N61-octanol -3.98[1]View
N71-undecanol -5.21[1]View
N81,1,2-trichloroethane -3.21[1]View
N91,1,2,2-tetrachloroethane -3.91[1]View
N101,2-dichloroethane -2.92[1]View
N111,1,2,2-tetrachloroethane -5.29[1]View
N121,2,4-trichlorobenzene -4.79[1]View
N131,3-dichlorobenzene -4.27[1]View
N141,4-dichlorobenzene -4.56[1]View
N151,4-dimethoxybenzene -3.07[1]View
N162-(2-ethoxyethoxy)ethanol -0.7[1]View
N172-butanone -1.35[1]View
N182-decanone -4.43[1]View
N192-hydroxy-4-methoxyacetophenone -3.48[1]View
N202-methyl-1-propanol -1.71[1]View
N212-methyl-2,4-pentanediol -1.04[1]View
N222-octanone -3.55[1]View
N232-phenoxyethanol -2.6[1]View
N242-propanol -0.76[1]View
N252,2,2-trichloroethanol -2.69[1]View
N262,3,4-trichloroacetophenone -5.04[1]View
N272,3,4-trimethoxyacetophenone -3.08[1]View
N282,4-dichloroacetophenone i-4.2[1]View
N292,6-dimethoxytoluene -3.87[1]View
N303-furanmethanol -2.28[1]View
N313-methyl-2-butanone -1.99[1]View
N323-pentanone -1.74[1]View
N333,3-dimethyl-2-butanone -3.06[1]View
N343,4-dichlorotoluene -4.74[1]View
N354-methyl-2-pentanone -2.29[1]View
N365-methyl-2-hexanone -2.85[1]View
N375-nonanone -3.66[1]View
N386-methyl-5-hepten-2-one -3.16[1]View
N39Acetone -0.85[1]View
N40Acetophenone -2.87[1]View
N41Benzophenone -4.07[1]View
N42Cyclohexanol -2.15[1]View
N43Cyclohexanone -2.27[1]View
N44Dibutyl ether -3.6[1]View
N45Diisopropyl ether -3.04[1]View
N46Dipentyl ether -4.69[1]View
N47Diphenyl ether -4.62[1]View
N48Ethanol 0.51[1]View
N49Furan -3.04[1]View
N50Hexachloroethane -5.19[1]View
N51Methanol -0.06[1]View
N524-nitrophenyl phenylether -4.9[1]View
N53Pentachloroethane -4.44[1]View
N54tert-butyl methyl ether -2.09[1]View
N55Tetrachloroethene -4.08[1]View
N56Tetrahydrofuran -1.52[1]View
N57Trichloroethene -3.47[1]View
N58Triethylene glycol -0.33[1]View
S31,2-Propanediol -0.84View
S8Formamide, N,N-dimethyl- -0.84View
S20Propane, 1,2-dichloro- -2.91View
S212-Butanol -1.31View
S26Acetic acid, methyl ester -2.36View
S49Benzene, 1,2-dichloro- -3.41View
S50Propane, 1,2,3-trichloro- -3.35View
S512-Butanone, oxime -2.01View
S65Benzene, ethyl- -3.94View
S782,4-Pentanediol, 2-methyl- -1.09View
S812-Propanol, 1-methoxy- -0.64View
S85Benzene, methyl- -3.55View
S1322-Propanol, 1-phenoxy- -2.74View
S141Cyclohexanol, 5-methyl-2-(1methylethyl)- -3.93View
S1561-Propanol, 2-phenoxy- -2.74View
P1phenol -3.46[2]View
P22-chlorophenol -4.04[2]View
P32,4-dichlorophenol -4.31[2]View
P42,4,6-trichlorophenol -4.41[2]View
P52-chloro-4-methylphenol -3.6[2]View
P64-chloro-3-methylphenol i-4.34[2]View
P72,4,6-tribromophenol -4.7[2]View
P82-allylphenol -3.94[2]View
P92-phenylphenol -4.44[2]View
P103-methoxyphenol -3.22[2]View
P114-methoxyphenol -3.05[2]View
P122-methylphenol -3.77[2]View
P133-methylphenol -3.29[2]View
P144-methylphenol -3.74[2]View
P154-ethylphenol -4.07[2]View
P164-propylphenol -4.09[2]View
P174-n-butylphenol -4.47[2]View
P184-tert-butylphenol i-4.46[2]View
P194-n-pentylphenol -5.18[2]View
P204-tert-pentylphenol -4.81[2]View
P214-nonylphenol -6.2[2]View
P224-phenoxyphenol -4.58[2]View
P234-(N-methoxymethyl)aminophenol i-2.27[2]View
P242,4-dimethylphenol -3.86[2]View
P252,6-dimethylphenol -3.75[2]View
P263,4-dimethylphenol -3.92[2]View
P271-naphthol -4.5[2]View
P284-nitrophenol -3.46[2]View
P294-amino-2-nitrophenol -3.64[2]View
P30aniline -2.86[2]View
P312-chloroaniline -4.31[2]View
P323-chloroaniline -3.98[2]View
P334-chloroaniline -3.64[2]View
P342,4-dichloroaniline -4.41[2]View
P352,5-dichloroaniline -4.99[2]View
P363,4-dichloroaniline -4.37[2]View
P373,5-dichloroaniline -4.62[2]View
P382,3,4-trichloroaniline -5.15[2]View
P392,3,6-trichloroaniline i-4.73[2]View
P402,4,5-trichloroaniline -5[2]View
P412-methylaniline -3.12[2]View
P423-methylaniline -3.47[2]View
P434-methylaniline -3.43[2]View
P442-ethylaniline -3.21[2]View
P453-ethylaniline -3.65[2]View
P464-ethylaniline -3.42[2]View
P474-butylaniline -4.16[2]View
P484-octylaniline -6.23[2]View
P494-decylaniline -6.58[2]View
P502,6-diisopropylaniline -4.06[2]View
P513-benzoxyaniline i-4.34[2]View
P524-hexyloxyaniline -4.78[2]View
P534-bromoaniline -3.56[2]View
P54pentafluoroaniline-3.69[2]View
P554-fluoro-2-methylaniline -3.78[2]View
P564-fluoro-3-methylaniline i-3.77[2]View
P574-nitroaniline -3.04[2]View
P582-chloro-4-nitroaniline -3.93[2]View
P594-ethoxy-2-nitroaniline -3.85[2]View
P603,5-dichloronitrobenzene -4.63[2]View
P612-nitrotoluene -3.57[2]View
P623-nitrotoluene -3.63[2]View
P634-nitrotoluene -3.76[2]View
P64ethylamine -2.3[2]View
P65propylamine -2.28[2]View
P66butylamine -2.44[2]View
P67amylamine -2.69[2]View
P68hexylamine -3.25[2]View
P69heptylamine -3.72[2]View
P70octylamine -4.4[2]View
P71nonylamine -4.82[2]View
P72decylamine -5.18[2]View
P73undecylamine -5.91[2]View
P74dodecylamine -6.27[2]View
P75tridecylamine -6.45[2]View
P76sec-butylamine-2.42[2]View
P771,2-dimethylpropylamine -2.49[2]View
P782,2-dimethyl-1-propylamine i-2.26[2]View
P793,3-dimethylbutylamine -2.22[2]View
P80t-octylamine -3.72[2]View
P811-methylheptylamine -4.4[2]View
P822-aminoethanol -1.46[2]View
P831-amino-2-propanol -1.48[2]View
P842-methoxyethylamine -2.16[2]View
P85benzylamine -3.02[2]View
P861-adamantanamine -3.78[2]View
S31Phenol, 4,4'-(1methylethylidene)bis- -4.7View
S1162-Naphthalenol -4.62View
S169Phenol, nonyl- -6.24View
S177Phenol, 4-nonyl-, branched -6.24View

Bibliography

  1. Veith, G. D.; Call, D. J.; Brooke, L. T. Structure–Toxicity Relationships for the Fathead Minnow, Pimephales promelas: Narcotic Industrial Chemicals. Canadian Journal of Fisheries and Aquatic Sciences 1983, 40, 743–748. http://dx.doi.org/10.1139/f83-096

  2. Verhaar, H. J. M.; Mulder, W.; Hermens, J. L. M. QSARs for ecotoxicity. In Overview of structure-activity relationships for environmental endpoints, Part I: general outline and procedure; Hermens, J. L. M., Ed.; 1995.