REPOSITORY QDB GUIDELINES CITING BLOG

10967/228 - QDB Compounds

QsarDB Repository

Tulp, I.; Tamm, T.; Dobchev, D.; Martin, D.; Karelson, G.; Jänes, J.; Tämm, K.; Härk, E.; Savchenko, D.; Kreegipuu, A.; Karelson, M. QSAR for the soil adsorption coefficient Koc. Q13-26-0009. 2009.

162 compounds | Property logKoc: Logarithm of soil sorption coefficient

ID Name logKoc Details
1 Alachlor 2.28 View
2 Butachlor 2.86 View
3 Propachlor 2.42 View
4 Aldicarb sulfone 0.42 View
5 Butylate 2.11 View
6 Carbaryl 2.4 View
7 Carbofuran 1.75 View
8 Chlorpropham 2.53 View
9 Cycloate 2.54 View
10 Diallate 3.28 View
11 Methiocarb 2.32 View
12 Molinate 1.92 View
13 Methyl-N-phenylcarbamate 1.73 View
14 Ethyl-N-phenylcarbamate 1.82 View
15 Methyl-N-(3,4-dichlorophenyl)carbamate 2.74 View
16 Thiobencarb 3.27 View
17 Vernolate 2.33 View
18 Butralin 3.98 View
19 Dinitramine 3.63 View
20 Fluchloralin 3.55 View
21 Oryzalin 3.4 View
22 Profluralin 4.01 View
23 Trifluralin 3.93 View
24 Aldrin 4.69 View
25 Chlordane 5.15 View
26 Endosulfan 4.13 View
27 Lindane 3 View
28 Methoxychlor 4.9 View
29 Carbophenothion 4.66 View
30 Chlorfenvinphos (cis) 2.47 View
31 Chlorpyrifos 3.7 View
32 Chlorpyrifos methyl 3.52 View
33 Crotoxyphos 2 View
34 Dicrotophos 1.66 View
35 Dimethoate 1.2 View
36 Disulfoton 3.22 View
37 Ethion 4.06 View
38 Fenamiphos 2.51 View
39 Fenitrothion 2.63 View
40 Fonofos 3.44 View
41 Isazophos 2.01 View
42 Mevinphos (cis) 2.3 View
43 Mevinphos (trans) 2.3 View
44 Parathion 3.2 View
45 Parathion methyl 3 View
46 Phorate 2.7 View
47 Phosalone 2.63 View
48 Profenofos 3.03 View
49 Terbufos 2.82 View
50 Trichlorfon 1.9 View
51 Phenylurea 1.5 View
52 2-Chlorophenylurea 1.61 View
53 2-Fluorophenylurea 1.32 View
54 3-Fluorophenylurea 1.77 View
55 3-Bromophenylurea 2.12 View
56 3-Methylphenylurea 1.56 View
57 3-Trifluoromethylphenylurea 1.98 View
58 4-Bromophenylurea 2.06 View
59 3,4-Dichlorophenylurea 2.53 View
60 3-Chloro-4-methoxyphenylurea 2 View
61 3-Methyl-4-bromophenylurea 2.37 View
62 N-Phenyl-N'-cyclopropylurea 1.74 View
63 N-Phenyl-N'-cyclopentylurea 1.93 View
64 N-Phenyl-N'-cyclohexylurea 2.07 View
65 N-Phenyl-N'-cycloheptylurea 2.37 View
66 Siduron 2.31 View
67 N-Phenyl-N-methylurea 1.29 View
68 N-(3,4-Dichlorophenyl)-N'-methylurea 2.46 View
69 N-(3-Chloro-4-methylphenyl)-N'-methylurea 2.1 View
70 N-(3-Chloro-4-methoxyphenyl)-N'methylurea 1.84 View
71 Fenuron 1.4 View
72 N-(3-Chlorophenyl)-N',N'-dimethylurea 1.79 View
73 N-(4-Fluorophenyl)-N',N'-dimethylurea 1.43 View
74 Monuron 1.95 View
75 N-(4-Methylphenyl)-N',N'-dimethylurea 1.51 View
76 Metoxuron 1.72 View
77 Chlorotoluron 2.02 View
78 N-(3,5-Dimethylphenyl)-N',N'-dimethylurea 1.73 View
79 Diuron 2.4 View
80 Chlorbromuron 2.7 View
81 Ametryn 2.59 View
82 Atrazine 2.24 View
83 Cyanazine 2.28 View
84 Dipropetryn 3.07 View
85 Metribuzin 1.71 View
86 Prometon 2.6 View
87 Propazine 2.4 View
88 Simazine 2.1 View
89 Secbumeton 2.78 View
90 Terbutryn 2.85 View
91 Trietazine 2.76 View
92 Ipazine 2.91 View
93 Propiconazole 3.39 View
94 Tebuthiuron 1.83 View
95 Triadimefon 2.71 View
96 Tricyclazole 3.09 View
97 Aldicarb sulfoxide 0.56 View
98 Asulam 2.48 View
99 Chlorbufam 2.21 View
100 Fenobucarb 1.71 View
101 Thiodicarb 2.54 View
102 Demeton-S-methyl 1.49 View
103 Dichlorvos 1.67 View
104 Leptophos 4.5 View
105 Methidathion 1.53 View
106 Piperophos 3.44 View
107 Pirimiphos methyl 3 View
108 Terbuthylazine 2.32 View
109 Acetochlor 2.32 View
110 Metalaxyl 1.57 View
111 Metolachlor 2.46 View
112 Aldicarb 1.5 View
113 Benomyl 2.71 View
114 Carbendazim 2.35 View
115 EPTC 2.38 View
116 Methomyl 1.3 View
117 Oxamyl 1 View
118 Pebulate 2.8 View
119 Propyl-N-phenylcarbamate 2.06 View
120 Butyl-N-phenylcarbamate 2.26 View
121 Pentyl-N-phenylcarbamate i 2.61 View
122 Methyl-N-(3-chlorophenyl)carbamate i 2.15 View
123 Propham 1.83 View
124 Propoxur 1.67 View
125 Triallate 3.35 View
126 Benfluralin 3.99 View
127 Nitralin 2.92 View
128 p,p'-DDT 5.31 View
129 p,p'-DDE 4.82 View
130 Dieldrin 4.55 View
131 Azinphos methyl 2.28 View
132 Chlorfenvinphos (trans) 2.47 View
133 Diazinon 2.75 View
134 Ethoprophos 1.8 View
135 Fensulfothion 2.52 View
136 Malathion 3.07 View
137 3-Chlorophenylurea 2.01 View
138 4-Fluorophenylurea 1.52 View
139 4-Phenoxyphenylurea 2.56 View
140 3-Methyl-4-Fluorophenylurea 1.75 View
141 N-(3-Chlorophenyl)-N'-methylurea 1.93 View
142 N-(3-Methoxyphenyl)-N',N'-dimethylurea i 1.72 View
143 N-(3-Fluorophenyl)-N',N'-dimethylurea 1.73 View
144 Fluometuron 2 View
145 N-(4-Methoxyphenyl)-N',N'-dimethylurea 1.4 View
146 N-(3,5-DiMethyl-4-Bromo-phenyl)-N',N'-dimethylurea 2.53 View
147 Chloroxuron 3.55 View
148 Monolinuron 2.1 View
149 Metobromuron 2.1 View
150 Linuron 2.7 View
151 Prometryn 2.85 View
152 Imazalil 3.73 View
153 Oxadiazon 3.51 View
154 Thiabendazole 3.24 View
155 Pirimicarb 1.9 View
156 Xylylcarb 1.71 View
157 EPN 3.12 View
158 Iprobenfos 2.4 View
159 Sulprofos 4.08 View
160 Neburon 3.4 View
161 Anilazine 3 View
162 Cyromazine 2.3 View

Bibliography

  1. Gramatica, P.; Corradi, M.; Consonni, V. Modelling and prediction of soil sorption coefficients of non-ionic organic pesticides by molecular descriptors. Chemosphere 2000, 41, 763–777. http://dx.doi.org/10.1016/s0045-6535(99)00463-4

  2. Sabljić, A.; Güsten, H.; Verhaar, H.; Hermens, J. QSAR modelling of soil sorption. Improvements and systematics of log KOC vs. log KOW correlations. Chemosphere 1995, 31, 4489–4514. http://dx.doi.org/10.1016/0045-6535(95)00327-5

  3. Meylan, W.; Howard, P. H.; Boethling, R. S. Molecular topology/fragment contribution method for predicting soil sorption coefficients. Environmental Science & Technology 1992, 26, 1560–1567. http://dx.doi.org/10.1021/es00032a011

  4. Kanazawa, J. Relationship between the soil sorption constants for pesticides and their physicochemical properties. Environmental Toxicology and Chemistry 1989, 8, 477–484. http://dx.doi.org/10.1002/etc.5620080604

  5. Gawlik, B. M.; Feicht, E. A.; Karcher, W.; Kettrup, A.; Mauntau, H. Application of the European reference soil set (EUROSOILS) to a HPLC-screening method for the estimation of soil adsorption coefficients of organic compounds. Chemosphere 1998, 36, 2903–2919. http://dx.doi.org/10.1016/s0045-6535(97)10247-8

  6. Lohninger, H. Estimation of soil partition coefficients of pesticides from their chemical structure. Chemosphere 1994, 29, 1611–1626. http://dx.doi.org/10.1016/0045-6535(94)90309-3