10967/167 - QDB Compounds

QsarDB Repository

Mombelli, E.; Pery, A. R. R. A Linear Model to Predict Chronic Effects of Chemicals on Daphnia magna. Bull. Environ. Contam. Toxicol. 2011, 87, 494–498.

244 compounds | Property pEC50_chronic: 21-day chronic Daphnia toxicity as log(1/EC50) [log(L/mmol)] i

IDNamepEC50_chronicDetails
1phenylmethanol0.21448259View
2N-cyclohexylidenehydroxylamine0.62240593View
32-ethenylpyridine1.98041659View
44-[(4-amino-3-chlorophenyl)methyl]-2-chloroaniline3.71078435View
54-[(4-aminophenyl)methyl]aniline4.12120955View
6phenylmethoxymethylbenzene2.41646532View
74-methoxyaniline2.61338369View
8diethyl propanedioate0.77327164View
92,4-dimethylphenol1.74457744View
104-bromophenol1.9827987View
111,4-dimethylbenzene1.70382343View
121-chloro-4-methylbenzene1.89827942View
134-methylphenol2.06089867View
141,4-dichlorobenzene2.54406804View
15oxiran-2-ylmethyl 2-methylprop-2-enoate1.64765799View
161,2-dichloroethane1.43915719View
17ethenyl acetate1.70455423View
181,3-dimethylbenzene1.91209937View
193-chloroaniline4.02660135View
201,3,5-trichlorobenzene2.25873304View
211,3,5-triazinane-2,4,6-trione0.29134867View
22methylbenzene1.5842841View
23cyclohexanamine1.40544707View
24phenol1.15413798View
253-methylpyridine1.36707624View
261,3-dibromopropane2.0498423View
27N-ethylethanamine1.10839884View
28thiophene0.99563519View
293a-methyl-5,6-dihydro-4H-2-benzofuran-1,3-dione1.25681706View
30piperazine0.11576175View
312,3-dihydroxypropyl (Z)-octadec-9-enoate2.15425351View
32heptanoic acid0.44254648View
33pentanedial2.08148612View
341-chloro-2-(2-chloroethoxy)ethane0.87664317View
35octane3.05789422View
36methyl dodecanoate2.98878184View
37undecane4.27501979View
38N'-(2-aminoethyl)-N-[2-(2-aminoethylamino)ethyl]ethane-1,2-diamine2.7332202View
39tridecan-1-ol2.63916156View
40tris(2-chloroethyl) phosphate0.89854236View
414-(4-amino-3-methylphenyl)-2-methylaniline2.52081093View
422,4-dichlorophenol2.78082384View
432-methyl-5-nitrobenzenesulfonic acid0.58871178View
44(2Z)-2-benzylideneheptanal3.60276314View
451,2-diphenylhydrazine2.70912857View
467-methyl-3-methylideneocta-1,6-diene2.75415714View
47dibromo(chloro)methane2.14253546View
48tris(2,3-dibromopropyl) phosphate2.5648591View
492-methylprop-2-enenitrile1.02738197View
501,1,2,2-tetrachloroethene2.96436441View
512,6-ditert-butyl-4-methylphenol3.36092065View
52pyrene2.96348732View
53diprop-2-enyl benzene-1,2-dicarboxylate1.75796069View
541,2-diethenylbenzene2.25727849View
55sodium 2-phenylphenolate2.34451986View
56dibenzothiophene3.01018213View
57N,N-diethyl-3-methylbenzamide0.98068497View
58naphthalen-2-ol2.01277699View
591-methyl-4-prop-1-en-2-ylcyclohexene2.4441723View
602-aminoethanol1.3881012View
61nonan-1-ol2.11784355View
62sodium (Z)-octadec-9-enoate2.93253526View
63[3-(aminomethyl)phenyl]methanamine1.20996159View
645-ethylidenebicyclo[2.2.1]hept-2-ene1.69972936View
65diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidenephosphorane6.32282957View
66sodium 2-ethylhexanoate0.52561726View
674-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one1.70783367View
685H-​dibenzo[a,​d]​cyclohepten-​5-​one2.82303226View
691-(1-benzothiophen-2-yl)ethanone1.71465021View
702,2,6,6-tetramethylpiperidin-4-ol0.53394328View
712-(dimethylamino)ethyl prop-2-enoate1.3566328View
724-[3-(4-aminophenoxy)phenoxy]aniline3.46591795View
732,3,3,4,4,5-hexamethylhexane-2-thiol4.00528779View
741,2-di(propan-2-yl)benzene3.03422726View
753-(1-dodecen-1-yl)dihydro-2,5-furandione2.08314414View
76di(propan-2-yloxy)phosphorylsulfanylmethylbenzene3.04036496View
77disodium 2-[(Z)-2-[4-[4-[(Z)-2-(2-sulfonatophenyl)ethenyl]phenyl]phenyl]ethenyl]benzenesulfonate2.28350224View
78S-[(4-chlorophenyl)methyl] diethylaminomethanethioate2.678906View
792-(dimethylamino)ethyl 2-methylprop-2-enoate1.25834625View
80oxaldehydic acid0.42230838View
81tert-butyl 2-ethylhexaneperoxoate2.07990447View
823a,4,7,7a-tetrahydro-1H-indene2.30908859View
833-methylsulfanylpropanal1.84173478View
843,5,5-trimethylhexan-1-ol1.83701694View
854-bromo-1,2-difluorobenzene1.82313681View
862-chloro-1-fluoro-4-nitrobenzene2.20300815View
87diheptyl benzene-1,2-dicarboxylate3.25834989View
88(2-butan-2-ylphenyl) N-methylcarbamate4.65384147View
89sodium 1-ethoxy-1-oxohexadecane-2-sulfonate2.6996891View
90bis(5-methylhexyl) benzene-1,2-dicarboxylate3.09698189View
91amino(imino)methanesulfinate0.98843733View
924-isopropenylphenol2.23009306View
93bis(3,3,5,5-tetramethylpiperidin-4-yl) decanedioate2.69971129View
94sodium 2-methylprop-2-enoate1.1568519View
952,4-dichloroaniline3.56611595View
961-methoxy-3-nitrobenzene1.66660306View
973-methylbut-2-en-1-ol0.85607404View
98tetrachloromethane1.93171207View
991-ethyl-4-phenylbenzene3.34692517View
1001,2-dimethylnaphthalene2.83206439View
1011,3-dimethylnaphthalene2.70243054View
102sodium 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonate1.47985284View
1032,6-dimethylnaphthalene3.11461098View
1042,7-dimethylnaphthalene2.58100837View
1053-aminophenol2.9588027View
1062-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid1.35185575View
1072-methyl-1,3-dinitrobenzene1.34135108View
1081-chloro-2-(chloromethyl)benzene2.84517896View
1094-methyl-N-(4-methylphenyl)aniline3.44386874View
110aniline3.73868731View
111thiourea1.32531037View
1121,3,5-triazinane-2,4,6-trithione1.31421028View
1132-hydroxyethyl(trimethyl)azanium chloride0.24701571View
1142-sulfanylacetic acid1.35161721View
115sodium 2-(dodecyl-dimethylazaniumyl)acetate chloride2.80191399View
1162-ethylhexyl 2-methylprop-2-enoate2.51925906View
1172-hydroxybenzoic acid0.34094746View
1182-bromopropane0.97596176View
119bromo(dichloro)methane1.93561332View
1201,1-dichloroethane1.16938488View
1213,4-dichlorobut-1-ene1.49485002View
1223,7-dimethylocta-1,6-dien-3-ol0.95786071View
1231,2-dichloropropane1.38094215View
1242-hydroxyacetic acid1.11030431View
1254-[2-(4-hydroxyphenyl)propan-2-yl]phenol1.48346367View
1262-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene3.07027885View
1272-hydroxyethyl prop-2-enoate2.19571271View
128sodium octadecanoate2.27805207View
1291,2,3,4,5-pentachloro-6-nitrobenzene2.89050926View
1301,2-diphenylbenzene3.62993789View
131bis(2-methylpropyl) benzene-1,2-dicarboxylate2.33069468View
132phenanthrene3.45166462View
1332-benzofuran-1,3-dione0.54736441View
134N,N-diphenylnitrous amide2.33340346View
1352-hydroxyethyl 2-methylprop-2-enoate0.16023503View
1362,6-dimethylaniline1.27058926View
1372-methylbenzenesulfonamide0.33597813View
1382-butan-2-yl-4,6-dinitrophenol3.14662044View
1392-hydroxybenzaldehyde2.74439968View
1402-methoxyphenol1.57543278View
1411-methylnaphthalene2.34675016View
1421-chloronaphthalene2.86875128View
143phthalonitrile0.41748864View
1446-ethoxy-2,2,4-trimethyl-1H-quinoline3.73507967View
1452-methylnaphthalene2.49971762View
1466-phenyl-1,3,5-triazine-2,4-diamine1.50152343View
1474-(4-amino-3-chlorophenyl)-2-chloroaniline2.72211954View
1484-(4-hydroxyphenyl)phenol2.67896172View
149N-(2-methylphenyl)-3-oxobutanamide1.05115252View
1501,3-benzothiazole1.76924886View
151N-(1,3-benzothiazol-2-ylsulfanyl)cyclohexanamine3.34316233View
1521,2-dimethylbenzene2.05291487View
1531-chloro-2-methylbenzene2.55833136View
1541,2-dichlorobenzene2.66216736View
1552-methylaniline3.2105293View
156benzene-1,2-diamine2.48991832View
1573,4-dimethylaniline3.42074479View
1583,4-dichloroaniline4.22279689View
1594-methylbenzene-1,3-diamine2.17855065View
1602-chloro-5-methylaniline3.53831007View
1612,4,5-trichlorophenol2.67218585View
1621,2-dibromo-3-chloropropane1.41927635View
1631,3-dichloropropan-2-ol0.18113712View
1641-chloro-2,4-dinitrobenzene2.97391057View
165phenylarsonic acid0.90749735View
1661-tert-butyl-4-methylbenzene2.547804View
1674-methylbenzenesulfonyl chloride0.61750176View
168prop-1-en-2-ylbenzene2.03118805View
1693-methylbenzoic acid0.95795828View
170methyl 4-hydroxybenzoate1.45802463View
1711-methyl-4-propan-2-ylcyclohexane3.10566499View
1724-propan-2-ylaniline3.92695307View
1731-(chloromethyl)-4-nitrobenzene2.5102161View
1744-ethenylcyclohexene2.07043943View
175N-methylaniline2.25922122View
176N-cyclohexylcyclohexanamine3.11241347View
177N-ethylaniline2.28416207View
178butylbenzene2.25282068View
1792-(diethylamino)ethyl 2-methylprop-2-enoate0.39281416View
1804-chloroaniline4.1057826View
1814-chlorophenol2.33825385View
1824-methylaniline3.7835633View
183benzene-1,3-diamine2.24167499View
1843,5-dimethylaniline2.93737458View
185pentanal1.45813403View
186cyclohexene1.91466043View
187pyridine0.28544753View
188morpholine0.86103631View
189heptan-1-ol1.4296673View
1901-chlorooctane3.13091828View
191triphenyl phosphate2.53589347View
1921,2,4-trichlorobenzene3.00346053View
193N-phenylaniline2.76610502View
1944-methoxybenzaldehyde2.0548683View
195hexanedioic acid0.90955603View
196tributyl phosphate2.1701965View
1976-prop-2-enoyloxyhexyl prop-2-enoate3.15079736View
198methyl-phenylarsinic acid1.86501933View
199dodecanoic acid2.65835835View
2003H-1,3-benzothiazole-2-thione2.70490412View
2014-pentylphenol2.37670917View
202(Z)-1,2-dichloroethene0.75605409View
203N,N-dimethyldodecan-1-amine oxide2.21648637View
2044-octylphenol3.20068217View
2058-methylnonan-1-ol2.12035454View
2065-chloro-2-(2,4-dichlorophenoxy)phenol4.72134588View
2073,7,11,15-tetramethylhexadec-1-en-3-ol1.99504989View
208hexadecyl-trimethylazanium bromide4.25002334View
2092,6-dimethylphenol2.04560744View
2102,3,4,6-tetrachlorophenol2.73179484View
2111,4-dimethyl-2-(1-phenylethyl)benzene3.43643114View
212methyldisulfanylmethane2.61241526View
2134-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol1.70773082View
214ethanethiol3.71425989View
215methylsulfanylmethane0.53816863View
2161,1,2-trichloro-1,2,2-trifluoroethane1.7955788View
217hydrazine hydrate2.18374422View
2181,1,2-trichloroethene1.4850608View
2192,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol2.50504618View
2204-(4-hydroxyphenyl)sulfonylphenol1.25231546View
2214-[4-(hydrazinesulfonyl)phenoxy]benzenesulfonohydrazide2.15647646View
222methyl 2-methylprop-2-enoate0.18102028View
223acenaphthene2.49794462View
224dibutyl benzene-1,2-dicarboxylate2.44900284View
225isoindole-1,3-dione0.96361077View
2262,3-dimethylaniline2.82823011View
2272-ethylbutanoic acid0.21387302View
2282-tert-butyl-5-methylphenol2.44470625View
2295-methyl-2-propan-2-ylphenol1.63271753View
2302-methoxyaniline1.97656159View
231quinoline1.06976897View
232naphthalen-2-amine3.69354502View
2331,3-diphenylbenzene3.57700182View
234phenylbenzene2.68299072View
2353-hydroxynaphthalene-2-carboxylic acid0.8943853View
2361,2-dimethoxy-4-prop-2-enylbenzene1.13708619View
237azacyclotridecan-2-one0.91504789View
2382-[2-[2-(2-ethylbutanoyloxy)ethoxy]ethoxy]ethyl 2-ethylbutanoate1.84953223View
2392-chloroaniline3.47231414View
2402,5-dichloroaniline3.03347737View
2411,2-bis(2-methylphenyl)guanidine1.70306861View
242butyl 2-methylprop-2-enoate1.33341674View
243dichloromethylbenzene1.36180875View
2443-nitroaniline2.58401695View

Bibliography

  1. Mombelli, E.; Pery, A. R. R. A Linear Model to Predict Chronic Effects of Chemicals on Daphnia magna. Bulletin of Environmental Contamination and Toxicology 2011, 87, 494–498. http://dx.doi.org/10.1007/s00128-011-0393-x